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1261896-06-3 | [1,1'-Biphenyl]-2-carboxylic acid, 4'-chloro-2'-methoxy-
CAS No: 1261896-06-3 Catalog No: AG000S3S MDL No:MFCD18312673
Product Description
Catalog Number:
AG000S3S
Chemical Name:
[1,1'-Biphenyl]-2-carboxylic acid, 4'-chloro-2'-methoxy-
CAS Number:
1261896-06-3
Molecular Formula:
C14H11ClO3
Molecular Weight:
262.6883
MDL Number:
MFCD18312673
IUPAC Name:
2-(4-chloro-2-methoxyphenyl)benzoic acid
InChI:
InChI=1S/C14H11ClO3/c1-18-13-8-9(15)6-7-11(13)10-4-2-3-5-12(10)14(16)17/h2-8H,1H3,(H,16,17)
InChI Key:
UJXHLFMAPXKPKY-UHFFFAOYSA-N
SMILES:
COc1cc(Cl)ccc1c1ccccc1C(=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:
262.04g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.689g/mol
Monoisotopic Mass:
262.04g/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
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