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
3.1431 -1.2068 0.2687 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9252 -0.6000 0.9934 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6161 0.6250 0.3947 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1297 0.6235 -0.3722 P 0 0 0 0 0 5 0 0 0 0 0 0
0.2377 -0.4539 -1.5256 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0224 2.2018 -1.2856 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6560 3.1602 -0.7069 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7727 2.2917 -2.9975 Br 0 0 0 0 0 0 0 0 0 0 0 0
-1.2872 0.3344 0.4337 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6713 -0.9965 0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1282 -1.2137 0.5553 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9305 -1.4944 0.9039 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4199 -0.4582 -0.5244 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7548 -2.0988 -0.3061 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1065 -1.2058 1.2165 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3869 -0.2195 2.0211 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1356 3.3076 0.1845 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5751 4.1148 -1.3790 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4687 -1.3705 -0.8161 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0150 -1.5649 0.9127 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7483 -1.2796 -0.4101 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2356 -2.1593 1.1157 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4798 -0.3373 1.1631 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