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1173019-45-8 | 2-Pyridinamine, 5-chloro-3-methyl-, hydrate (2:1)
CAS No: 1173019-45-8 Catalog No: AG000E2P MDL No:
Product Description
Catalog Number:
AG000E2P
Chemical Name:
2-Pyridinamine, 5-chloro-3-methyl-, hydrate (2:1)
CAS Number:
1173019-45-8
Molecular Formula:
C12H16Cl2N4O
Molecular Weight:
303.1876
IUPAC Name:
5-chloro-3-methylpyridin-2-amine;hydrate
InChI:
InChI=1S/2C6H7ClN2.H2O/c2*1-4-2-5(7)3-9-6(4)8;/h2*2-3H,1H3,(H2,8,9);1H2
InChI Key:
XUNMRTSHBBFPTI-UHFFFAOYSA-N
SMILES:
Clc1cnc(c(c1)C)N.Clc1cnc(c(c1)C)N.O
Properties
Complexity:
97.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.07g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
303.187g/mol
Monoisotopic Mass:
302.07g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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