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100114-37-2 | 2,3-Pyridinediamine, 5-chloro-N2-methyl-
CAS No: 100114-37-2 Catalog No: AG00010A MDL No:MFCD07375046
Product Description
Catalog Number:
AG00010A
Chemical Name:
2,3-Pyridinediamine, 5-chloro-N2-methyl-
CAS Number:
100114-37-2
Molecular Formula:
C6H8ClN3
Molecular Weight:
157.6008
MDL Number:
MFCD07375046
IUPAC Name:
5-chloro-2-N-methylpyridine-2,3-diamine
InChI:
InChI=1S/C6H8ClN3/c1-9-6-5(8)2-4(7)3-10-6/h2-3H,8H2,1H3,(H,9,10)
InChI Key:
VMWQUMKADFQDBI-UHFFFAOYSA-N
SMILES:
CNc1ncc(cc1N)Cl
Properties
Complexity:
109
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.041g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
157.601g/mol
Monoisotopic Mass:
157.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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