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
-2.6216 -0.9797 0.4416 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6441 0.0939 0.1621 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0238 1.3319 0.3918 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3070 -0.2400 -0.3521 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0123 -1.4471 -0.5484 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6489 0.6732 -0.6354 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9409 0.5559 -1.1084 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9515 -0.1399 -0.2860 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6600 -1.9554 0.1432 Br 0 0 0 0 0 0 0 0 0 0 0 0
-3.2603 -0.6697 1.3164 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1318 -1.9516 0.6708 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3265 -1.1105 -0.4086 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9928 1.6041 0.7666 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2788 2.1072 0.1756 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2993 1.6276 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9681 0.1706 -2.1839 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2038 0.4156 0.6514 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9263 -0.0861 -0.8677 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