Home Halogens 6-chloro-5-nitro-pyrimidine-2,4-diamine

6-chloro-5-nitro-pyrimidine-2,4-diamine

CAS No.:
6036-64-2
Catalog Number:
AG00373N
Molecular Formula:
C4H4ClN5O2
Molecular Weight:
189.5599
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Product Description
Catalog Number:
AG00373N
Chemical Name:
6-chloro-5-nitro-pyrimidine-2,4-diamine
CAS Number:
6036-64-2
Molecular Formula:
C4H4ClN5O2
Molecular Weight:
189.5599
MDL Number:
MFCD00127834
IUPAC Name:
6-chloro-5-nitropyrimidine-2,4-diamine
InChI:
InChI=1S/C4H4ClN5O2/c5-2-1(10(11)12)3(6)9-4(7)8-2/h(H4,6,7,8,9)
InChI Key:
PQRPNYCCQLFXNK-UHFFFAOYSA-N
SMILES:
Nc1nc(N)c(c(n1)Cl)[N+](=O)[O-]
Properties
Complexity:
185  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.005g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
189.559g/mol
Monoisotopic Mass:
189.005g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties