Home Halogens [1,1'-Biphenyl]-3-carboxylic acid, 3'-bromo-5'-methoxy-

[1,1'-Biphenyl]-3-carboxylic acid, 3'-bromo-5'-methoxy-

CAS No.:
1215205-39-2
Catalog Number:
AG00154J
Molecular Formula:
C14H11BrO3
Molecular Weight:
307.1393
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Product Description
Catalog Number:
AG00154J
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 3'-bromo-5'-methoxy-
CAS Number:
1215205-39-2
Molecular Formula:
C14H11BrO3
Molecular Weight:
307.1393
MDL Number:
MFCD15143524
IUPAC Name:
3-(3-bromo-5-methoxyphenyl)benzoic acid
InChI:
InChI=1S/C14H11BrO3/c1-18-13-7-11(6-12(15)8-13)9-3-2-4-10(5-9)14(16)17/h2-8H,1H3,(H,16,17)
InChI Key:
HKWZVMVNLVXIAG-UHFFFAOYSA-N
SMILES:
COc1cc(Br)cc(c1)c1cccc(c1)C(=O)O
Properties
Complexity:
295  
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:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties