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133085-87-7 | [1,1'-Biphenyl]-2-carboxylic acid, 4'-(bromomethyl)-, ethyl ester
CAS No: 133085-87-7 Catalog No: AG00148R MDL No:
Product Description
Catalog Number:
AG00148R
Chemical Name:
[1,1'-Biphenyl]-2-carboxylic acid, 4'-(bromomethyl)-, ethyl ester
CAS Number:
133085-87-7
Molecular Formula:
C16H15BrO2
Molecular Weight:
319.1931
IUPAC Name:
ethyl 2-[4-(bromomethyl)phenyl]benzoate
InChI:
InChI=1S/C16H15BrO2/c1-2-19-16(18)15-6-4-3-5-14(15)13-9-7-12(11-17)8-10-13/h3-10H,2,11H2,1H3
InChI Key:
SCQUWJNTFMIYAV-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccccc1c1ccc(cc1)CBr
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.026g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.198g/mol
Monoisotopic Mass:
318.026g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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