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Home > Nitro Compounds > 100137-20-0
100137-20-0 | 3-(5-nitropyridin-2-yl)-1-phenylurea
CAS No: 100137-20-0 Catalog No: AG00IWVB MDL No:MFCD00090957
Product Description
Catalog Number:
AG00IWVB
Chemical Name:
3-(5-nitropyridin-2-yl)-1-phenylurea
CAS Number:
100137-20-0
Molecular Formula:
C12H10N4O3
Molecular Weight:
258.2328
MDL Number:
MFCD00090957
IUPAC Name:
1-(5-nitropyridin-2-yl)-3-phenylurea
InChI:
InChI=1S/C12H10N4O3/c17-12(14-9-4-2-1-3-5-9)15-11-7-6-10(8-13-11)16(18)19/h1-8H,(H2,13,14,15,17)
InChI Key:
JKZXNSOYVTUBLO-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cn1)[N+](=O)[O-])Nc1ccccc1
NSC Number:
38572
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.075g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
258.237g/mol
Monoisotopic Mass:
258.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
99.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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