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Home > Nitro Compounds > 13207-99-3
13207-99-3 | Pyrimidine, 2-(1-methylethyl)-5-nitro-
CAS No: 13207-99-3 Catalog No: AG00105K MDL No:
Product Description
Catalog Number:
AG00105K
Chemical Name:
Pyrimidine, 2-(1-methylethyl)-5-nitro-
CAS Number:
13207-99-3
Molecular Formula:
C7H9N3O2
Molecular Weight:
167.1653
IUPAC Name:
5-nitro-2-propan-2-ylpyrimidine
InChI:
InChI=1S/C7H9N3O2/c1-5(2)7-8-3-6(4-9-7)10(11)12/h3-5H,1-2H3
InChI Key:
NZSUYBPLRIWZCK-UHFFFAOYSA-N
SMILES:
CC(c1ncc(cn1)[N+](=O)[O-])C
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.069g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.168g/mol
Monoisotopic Mass:
167.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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