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140473-84-3 | 2-Propenoic acid, 2-bromo-3-(4-methylphenyl)-, methyl ester, (2E)-
CAS No: 140473-84-3 Catalog No: AG001CI8 MDL No:
Product Description
Catalog Number:
AG001CI8
Chemical Name:
2-Propenoic acid, 2-bromo-3-(4-methylphenyl)-, methyl ester, (2E)-
CAS Number:
140473-84-3
Molecular Formula:
C11H11BrO2
Molecular Weight:
255.1078
IUPAC Name:
methyl 2-bromo-3-(4-methylphenyl)prop-2-enoate
InChI:
InChI=1S/C11H11BrO2/c1-8-3-5-9(6-4-8)7-10(12)11(13)14-2/h3-7H,1-2H3
InChI Key:
AICAJSASPLCNBM-UHFFFAOYSA-N
SMILES:
COC(=O)/C(=C\c1ccc(cc1)C)/Br
Properties
Complexity:
227
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:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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