Monomers
2-Bromoethyl methacrylate
Identifiers
IUPAC name
2-bromoethyl 2-methylprop-2-enoate
InchI
InChI=1S/C6H9BrO2/c1-5(2)6(8)9-4-3-7/h1,3-4H2,2H3
InchI Key
AOUSBQVEVZBMNI-UHFFFAOYSA-N
SMILES
CC(=C)C(=O)OCCBr
Canonical SMILES
CC(=C)C(=O)OCCBr
Isomeric SMILES
CC(=C)C(=O)OCCBr
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C6H9BrO2
Heavy Atom Count
9
Molecular Weight
193.04
Exact Molecular Weight
191.9786
Valence Electrons
52
Radical Electrons
0
tPSA
26.3
MolLogP
1.5006
H Bond Acceptors
2
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
18 17 0 0 0 0 0 0 0 0999 V2000
2.3717 1.5166 -0.0716 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6572 0.2309 -0.0428 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3214 -0.8624 0.1882 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1894 0.2544 -0.2839 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3844 1.3513 -0.5007 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5471 -0.8840 -0.2753 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8907 -1.0339 -0.4614 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8074 -0.4846 0.5795 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7398 1.3995 0.8777 Br 0 0 0 0 0 0 0 0 0 0 0 0
3.3288 1.5150 0.4679 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5013 1.7858 -1.1554 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7322 2.3398 0.3584 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3752 -0.8392 0.3568 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7953 -1.7970 0.2080 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0958 -2.1429 -0.6013 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2526 -0.5542 -1.4390 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6898 -1.0581 1.5573 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8649 -0.7371 0.2376 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 3
2 4 1 0
4 5 2 0
4 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
1 10 1 0
1 11 1 0
1 12 1 0
3 13 1 0
3 14 1 0
7 15 1 0
7 16 1 0
8 17 1 0
8 18 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers