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693257-19-1 | 2-(Benzyloxy)-4-bromobenzoic acid
CAS No: 693257-19-1 Catalog No: AG006GEI MDL No:MFCD11551598
Product Description
Catalog Number:
AG006GEI
Chemical Name:
2-(Benzyloxy)-4-bromobenzoic acid
CAS Number:
693257-19-1
Molecular Formula:
C14H11BrO3
Molecular Weight:
307.1393
MDL Number:
MFCD11551598
IUPAC Name:
4-bromo-2-phenylmethoxybenzoic acid
InChI:
InChI=1S/C14H11BrO3/c15-11-6-7-12(14(16)17)13(8-11)18-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)
InChI Key:
BFEVNLBJIJNYRW-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)OCc1ccccc1)C(=O)O
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.989g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.143g/mol
Monoisotopic Mass:
305.989g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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