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70625-38-6 | 2-Propenoic acid, 3-[2-(bromomethyl)phenyl]-, methyl ester
CAS No: 70625-38-6 Catalog No: AG005H7W MDL No:
Product Description
Catalog Number:
AG005H7W
Chemical Name:
2-Propenoic acid, 3-[2-(bromomethyl)phenyl]-, methyl ester
CAS Number:
70625-38-6
Molecular Formula:
C11H11BrO2
Molecular Weight:
255.1078
IUPAC Name:
methyl 3-[2-(bromomethyl)phenyl]prop-2-enoate
InChI:
InChI=1S/C11H11BrO2/c1-14-11(13)7-6-9-4-2-3-5-10(9)8-12/h2-7H,8H2,1H3
InChI Key:
APTKTAVEUREZBJ-UHFFFAOYSA-N
SMILES:
COC(=O)C=Cc1ccccc1CBr
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.994g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.111g/mol
Monoisotopic Mass:
253.994g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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