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1200497-81-9 | 2-Pyridinecarboxylic acid, 3-chloro-5-cyano-
CAS No: 1200497-81-9 Catalog No: AG000Q6L MDL No:MFCD14584817
Product Description
Catalog Number:
AG000Q6L
Chemical Name:
2-Pyridinecarboxylic acid, 3-chloro-5-cyano-
CAS Number:
1200497-81-9
Molecular Formula:
C7H3ClN2O2
Molecular Weight:
182.5639
MDL Number:
MFCD14584817
IUPAC Name:
3-chloro-5-cyanopyridine-2-carboxylic acid
InChI:
InChI=1S/C7H3ClN2O2/c8-5-1-4(2-9)3-10-6(5)7(11)12/h1,3H,(H,11,12)
InChI Key:
NHQRPMDOQOKWPU-UHFFFAOYSA-N
SMILES:
N#Cc1cnc(c(c1)Cl)C(=O)O
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.988g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.563g/mol
Monoisotopic Mass:
181.988g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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