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1269293-72-2

1269293-72-2 | 4-Pyridinol, 5-amino-2-chloro-, hydrochloride (1:1)

CAS No: 1269293-72-2 Catalog No: AG000WEB MDL No:

Product Description

Catalog Number:
AG000WEB
Chemical Name:
4-Pyridinol, 5-amino-2-chloro-, hydrochloride (1:1)
CAS Number:
1269293-72-2
Molecular Formula:
C5H6Cl2N2O
Molecular Weight:
181.0199
IUPAC Name:
5-amino-2-chloro-1H-pyridin-4-one;hydrochloride
InChI:
InChI=1S/C5H5ClN2O.ClH/c6-5-1-4(9)3(7)2-8-5;/h1-2H,7H2,(H,8,9);1H
InChI Key:
ANVUNTQSXLBTKP-UHFFFAOYSA-N
SMILES:
Clc1ncc(c(c1)O)N.Cl

Properties

Complexity:
207  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.986g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
181.016g/mol
Monoisotopic Mass:
179.986g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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