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1261938-18-4 | [1,1'-Biphenyl]-4-carboxylic acid, 3-chloro-2'-hydroxy-
CAS No: 1261938-18-4 Catalog No: AG000S7D MDL No:MFCD18319022
Product Description
Catalog Number:
AG000S7D
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 3-chloro-2'-hydroxy-
CAS Number:
1261938-18-4
Molecular Formula:
C13H9ClO3
Molecular Weight:
248.6618
MDL Number:
MFCD18319022
IUPAC Name:
2-chloro-4-(2-hydroxyphenyl)benzoic acid
InChI:
InChI=1S/C13H9ClO3/c14-11-7-8(5-6-10(11)13(16)17)9-3-1-2-4-12(9)15/h1-7,15H,(H,16,17)
InChI Key:
NOFMDQISUTYLFX-UHFFFAOYSA-N
SMILES:
Oc1ccccc1c1ccc(c(c1)Cl)C(=O)O
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.024g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
248.662g/mol
Monoisotopic Mass:
248.024g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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