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1214356-98-5 | Benzoic acid, 2-chloro-4-(3-pyridinyl)-
CAS No: 1214356-98-5 Catalog No: AG0014VW MDL No:MFCD15477042
Product Description
Catalog Number:
AG0014VW
Chemical Name:
Benzoic acid, 2-chloro-4-(3-pyridinyl)-
CAS Number:
1214356-98-5
Molecular Formula:
C12H8ClNO2
Molecular Weight:
233.6504
MDL Number:
MFCD15477042
IUPAC Name:
2-chloro-4-pyridin-3-ylbenzoic acid
InChI:
InChI=1S/C12H8ClNO2/c13-11-6-8(3-4-10(11)12(15)16)9-2-1-5-14-7-9/h1-7H,(H,15,16)
InChI Key:
HYCJLIBOPWEUQJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1Cl)c1cccnc1
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.024g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.651g/mol
Monoisotopic Mass:
233.024g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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