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1289042-45-0 | 4-Pyridinecarboxylic acid, 2-chloro-3-formyl-
CAS No: 1289042-45-0 Catalog No: AG000YHZ MDL No:MFCD22207843
Product Description
Catalog Number:
AG000YHZ
Chemical Name:
4-Pyridinecarboxylic acid, 2-chloro-3-formyl-
CAS Number:
1289042-45-0
Molecular Formula:
C7H4ClNO3
Molecular Weight:
185.5646
MDL Number:
MFCD22207843
IUPAC Name:
2-chloro-3-formylpyridine-4-carboxylic acid
InChI:
InChI=1S/C7H4ClNO3/c8-6-5(3-10)4(7(11)12)1-2-9-6/h1-3H,(H,11,12)
InChI Key:
QZOUCFCTUUEITK-UHFFFAOYSA-N
SMILES:
O=Cc1c(Cl)nccc1C(=O)O
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.988g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.563g/mol
Monoisotopic Mass:
184.988g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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