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Home > Nitro Compounds > 69491-52-7
69491-52-7 | Pyrimidine, 2-(3-nitrophenyl)-
CAS No: 69491-52-7 Catalog No: AG00IBY3 MDL No:MFCD09999076
Product Description
Catalog Number:
AG00IBY3
Chemical Name:
Pyrimidine, 2-(3-nitrophenyl)-
CAS Number:
69491-52-7
Molecular Formula:
C10H7N3O2
Molecular Weight:
201.1815
MDL Number:
MFCD09999076
IUPAC Name:
2-(3-nitrophenyl)pyrimidine
InChI:
InChI=1S/C10H7N3O2/c14-13(15)9-4-1-3-8(7-9)10-11-5-2-6-12-10/h1-7H
InChI Key:
IUKRCJBHJYYSSK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)c1ncccn1
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.054g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.185g/mol
Monoisotopic Mass:
201.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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