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1217530-93-2 | Pyrimidine, 4-chloro-2-cyclopropyl-5-nitro-
CAS No: 1217530-93-2 Catalog No: AG0015SR MDL No:MFCD19105239
Product Description
Catalog Number:
AG0015SR
Chemical Name:
Pyrimidine, 4-chloro-2-cyclopropyl-5-nitro-
CAS Number:
1217530-93-2
Molecular Formula:
C7H6ClN3O2
Molecular Weight:
199.5944
MDL Number:
MFCD19105239
IUPAC Name:
4-chloro-2-cyclopropyl-5-nitropyrimidine
InChI:
InChI=1S/C7H6ClN3O2/c8-6-5(11(12)13)3-9-7(10-6)4-1-2-4/h3-4H,1-2H2
InChI Key:
RFRZIHJJDFTCPG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnc(nc1Cl)C1CC1
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.015g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.594g/mol
Monoisotopic Mass:
199.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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