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1261992-00-0 | [1,1'-Biphenyl]-4-carboxylic acid, 3-chloro-3',5'-dimethoxy-
CAS No: 1261992-00-0 Catalog No: AG000SBK MDL No:MFCD18321419
Product Description
Catalog Number:
AG000SBK
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 3-chloro-3',5'-dimethoxy-
CAS Number:
1261992-00-0
Molecular Formula:
C15H13ClO4
Molecular Weight:
292.7143
MDL Number:
MFCD18321419
IUPAC Name:
2-chloro-4-(3,5-dimethoxyphenyl)benzoic acid
InChI:
InChI=1S/C15H13ClO4/c1-19-11-5-10(6-12(8-11)20-2)9-3-4-13(15(17)18)14(16)7-9/h3-8H,1-2H3,(H,17,18)
InChI Key:
VYJUVLGBBUTPNA-UHFFFAOYSA-N
SMILES:
COc1cc(OC)cc(c1)c1ccc(c(c1)Cl)C(=O)O
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.05g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
292.715g/mol
Monoisotopic Mass:
292.05g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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