Home Halogens 4,6-dichloro-5-nitropyriMidin-2-aMine

4,6-dichloro-5-nitropyriMidin-2-aMine

CAS No.:
134716-82-8
Catalog Number:
AG009VWP
Molecular Formula:
C4H2Cl2N4O2
Molecular Weight:
208.9903
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Product Description
Catalog Number:
AG009VWP
Chemical Name:
4,6-dichloro-5-nitropyriMidin-2-aMine
CAS Number:
134716-82-8
Molecular Formula:
C4H2Cl2N4O2
Molecular Weight:
208.9903
MDL Number:
MFCD17169373
IUPAC Name:
4,6-dichloro-5-nitropyrimidin-2-amine
InChI:
InChI=1S/C4H2Cl2N4O2/c5-2-1(10(11)12)3(6)9-4(7)8-2/h(H2,7,8,9)
InChI Key:
KIOZJDBYVRMAGM-UHFFFAOYSA-N
SMILES:
Clc1nc(N)nc(c1[N+](=O)[O-])Cl
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.955g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
208.986g/mol
Monoisotopic Mass:
207.955g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Literature
Title Journal
Towards more specific O6-methylguanine-DNA methyltransferase (MGMT) inactivators. Bioorganic & medicinal chemistry 20110301
Properties