Monomers
Phosphonic acid, (1-bromoethenyl)-, diethyl ester
Identifiers
IUPAC name
1-bromo-1-diethoxyphosphorylethene
InchI
InChI=1S/C6H12BrO3P/c1-4-9-11(8,6(3)7)10-5-2/h3-5H2,1-2H3
InchI Key
SQMBBBWHQORDNI-UHFFFAOYSA-N
SMILES
CCOP(=O)(C(=C)Br)OCC
Canonical SMILES
CCOP(=O)(C(=C)Br)OCC
Isomeric SMILES
CCOP(=O)(C(=C)Br)OCC
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C6H12BrO3P
Heavy Atom Count
11
Molecular Weight
243.037
Exact Molecular Weight
241.9707
Valence Electrons
66
Radical Electrons
0
tPSA
35.53
MolLogP
3.1186
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
23 22 0 0 0 0 0 0 0 0999 V2000
2.9760 -0.5811 -0.8290 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7934 0.0962 -0.2106 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1437 -0.6974 0.7240 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1649 0.1305 1.3683 P 0 0 0 0 0 5 0 0 0 0 0 0
-0.3616 -0.3228 2.7996 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1065 1.8953 1.4203 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3240 2.7246 0.4865 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0697 2.5985 2.9088 Br 0 0 0 0 0 0 0 0 0 0 0 0
-1.5956 -0.1720 0.5566 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5893 -1.3307 -0.1884 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9426 -1.4615 -0.8560 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5185 0.1559 -1.4472 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6058 -1.4431 -1.4460 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6874 -1.0048 -0.1126 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1216 1.0650 0.1992 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0574 0.3100 -1.0140 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8709 2.3399 -0.3623 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1405 3.7827 0.5531 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7490 -1.3995 -0.9014 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4969 -2.2029 0.5161 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2947 -0.4583 -1.1622 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9065 -2.1844 -1.6987 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6436 -1.8402 -0.0895 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 2 0
4 6 1 0
6 7 2 3
6 8 1 0
4 9 1 0
9 10 1 0
10 11 1 0
1 12 1 0
1 13 1 0
1 14 1 0
2 15 1 0
2 16 1 0
7 17 1 0
7 18 1 0
10 19 1 0
10 20 1 0
11 21 1 0
11 22 1 0
11 23 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers