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114772-38-2 | [1,1'-Biphenyl]-2-carboxylic acid, 4'-(bromomethyl)-, methyl ester
CAS No: 114772-38-2 Catalog No: AG000F70 MDL No:MFCD06200816
Product Description
Catalog Number:
AG000F70
Chemical Name:
[1,1'-Biphenyl]-2-carboxylic acid, 4'-(bromomethyl)-, methyl ester
CAS Number:
114772-38-2
Molecular Formula:
C15H13BrO2
Molecular Weight:
305.1665
MDL Number:
MFCD06200816
IUPAC Name:
methyl 2-[4-(bromomethyl)phenyl]benzoate
InChI:
InChI=1S/C15H13BrO2/c1-18-15(17)14-5-3-2-4-13(14)12-8-6-11(10-16)7-9-12/h2-9H,10H2,1H3
InChI Key:
RMXGTMRDXKUUDJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccccc1c1ccc(cc1)CBr
EC Number:
601-325-6
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.01g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.171g/mol
Monoisotopic Mass:
304.01g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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