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77894-08-7 | [1,1'-Biphenyl]-3-aceticacid, 4'-chloro-4-methoxy-
CAS No: 77894-08-7 Catalog No: AG005EIC MDL No:
Product Description
Catalog Number:
AG005EIC
Chemical Name:
[1,1'-Biphenyl]-3-aceticacid, 4'-chloro-4-methoxy-
CAS Number:
77894-08-7
Molecular Formula:
C15H13ClO3
Molecular Weight:
276.7149
IUPAC Name:
2-[5-(4-chlorophenyl)-2-methoxyphenyl]acetic acid
InChI:
InChI=1S/C15H13ClO3/c1-19-14-7-4-11(8-12(14)9-15(17)18)10-2-5-13(16)6-3-10/h2-8H,9H2,1H3,(H,17,18)
InChI Key:
XJQBKQUXUQRYJO-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1CC(=O)O)c1ccc(cc1)Cl
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.055g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.716g/mol
Monoisotopic Mass:
276.055g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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