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1261899-32-4 | [1,1'-Biphenyl]-4-carboxylic acid, 3'-chloro-4'-hydroxy-, methyl ester
CAS No: 1261899-32-4 Catalog No: AG000S4O MDL No:MFCD18315658
Product Description
Catalog Number:
AG000S4O
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 3'-chloro-4'-hydroxy-, methyl ester
CAS Number:
1261899-32-4
Molecular Formula:
C14H11ClO3
Molecular Weight:
262.6883
MDL Number:
MFCD18315658
IUPAC Name:
methyl 4-(3-chloro-4-hydroxyphenyl)benzoate
InChI:
InChI=1S/C14H11ClO3/c1-18-14(17)10-4-2-9(3-5-10)11-6-7-13(16)12(15)8-11/h2-8,16H,1H3
InChI Key:
DIDHAEBKDLTMKI-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)c1ccc(c(c1)Cl)O
Properties
Complexity:
287
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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