Home Halogens 2,4-Pyrimidinediamine, 5-chloro- (9CI)

2,4-Pyrimidinediamine, 5-chloro- (9CI)

CAS No.:
18620-64-9
Catalog Number:
AG00ASS5
Molecular Formula:
C4H5ClN4
Molecular Weight:
144.5623
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Product Description
Catalog Number:
AG00ASS5
Chemical Name:
2,4-Pyrimidinediamine, 5-chloro- (9CI)
CAS Number:
18620-64-9
Molecular Formula:
C4H5ClN4
Molecular Weight:
144.5623
MDL Number:
MFCD09907877
IUPAC Name:
5-chloropyrimidine-2,4-diamine
InChI:
InChI=1S/C4H5ClN4/c5-2-1-8-4(7)9-3(2)6/h1H,(H4,6,7,8,9)
InChI Key:
ZXPMVKXDIBNUKN-UHFFFAOYSA-N
SMILES:
Nc1ncc(c(n1)N)Cl
Properties
Complexity:
98.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.02g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
144.562g/mol
Monoisotopic Mass:
144.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties