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866807-27-4 | 3-Amino-6-chloro-2-pyridinecarboxylic Acid
CAS No: 866807-27-4 Catalog No: AG0033L9 MDL No:MFCD09264291
Product Description
Catalog Number:
AG0033L9
Chemical Name:
3-Amino-6-chloro-2-pyridinecarboxylic Acid
CAS Number:
866807-27-4
Molecular Formula:
C6H5ClN2O2
Molecular Weight:
172.5691
MDL Number:
MFCD09264291
IUPAC Name:
3-amino-6-chloropyridine-2-carboxylic acid
InChI:
InChI=1S/C6H5ClN2O2/c7-4-2-1-3(8)5(9-4)6(10)11/h1-2H,8H2,(H,10,11)
InChI Key:
TXGSKLHDWJCBDC-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(n1)C(=O)O)N
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.004g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
172.568g/mol
Monoisotopic Mass:
172.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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