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126827-19-8 | Pyrimidine, 4-chloro-6-nitro-
CAS No: 126827-19-8 Catalog No: AG000TBI MDL No:
Product Description
Catalog Number:
AG000TBI
Chemical Name:
Pyrimidine, 4-chloro-6-nitro-
CAS Number:
126827-19-8
Molecular Formula:
C4H2ClN3O2
Molecular Weight:
159.5306
IUPAC Name:
4-chloro-6-nitropyrimidine
InChI:
InChI=1S/C4H2ClN3O2/c5-3-1-4(8(9)10)7-2-6-3/h1-2H
InChI Key:
DIWBTPIHCBSZTN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(Cl)ncn1
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.984g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.529g/mol
Monoisotopic Mass:
158.984g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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