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89596-24-7 | 2-[4-(bromomethyl)benzoyl]benzoic acid
CAS No: 89596-24-7 Catalog No: AG003XJM MDL No:
Product Description
Catalog Number:
AG003XJM
Chemical Name:
2-[4-(bromomethyl)benzoyl]benzoic acid
CAS Number:
89596-24-7
Molecular Formula:
C15H11BrO3
Molecular Weight:
319.1500
IUPAC Name:
2-[4-(bromomethyl)benzoyl]benzoic acid
InChI:
InChI=1S/C15H11BrO3/c16-9-10-5-7-11(8-6-10)14(17)12-3-1-2-4-13(12)15(18)19/h1-8H,9H2,(H,18,19)
InChI Key:
IWPVPNYANNAZSI-UHFFFAOYSA-N
SMILES:
BrCc1ccc(cc1)C(=O)c1ccccc1C(=O)O
NSC Number:
159285
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.989g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.154g/mol
Monoisotopic Mass:
317.989g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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