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Home > Nitro Compounds > 835653-04-8
835653-04-8 | Pyrimidine, compd. with nitrobenzene (1:1)
CAS No: 835653-04-8 Catalog No: AG0057K6 MDL No:
Product Description
Catalog Number:
AG0057K6
Chemical Name:
Pyrimidine, compd. with nitrobenzene (1:1)
CAS Number:
835653-04-8
Molecular Formula:
C10H9N3O2
Molecular Weight:
203.1974
IUPAC Name:
nitrobenzene;pyrimidine
InChI:
InChI=1S/C6H5NO2.C4H4N2/c8-7(9)6-4-2-1-3-5-6;1-2-5-4-6-3-1/h1-5H;1-4H
InChI Key:
WCSNWBFZIIYLBW-UHFFFAOYSA-N
SMILES:
c1ccncn1.[O-][N+](=O)c1ccccc1
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.201g/mol
Monoisotopic Mass:
203.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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