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Home > Nitro Compounds > 18740-35-7
18740-35-7 | [(4-nitrophenyl)methyl]urea
CAS No: 18740-35-7 Catalog No: AG019WZ9 MDL No:MFCD13195911
Product Description
Catalog Number:
AG019WZ9
Chemical Name:
[(4-nitrophenyl)methyl]urea
CAS Number:
18740-35-7
Molecular Formula:
C8H9N3O3
Molecular Weight:
195.1754
MDL Number:
MFCD13195911
IUPAC Name:
(4-nitrophenyl)methylurea
InChI:
InChI=1S/C8H9N3O3/c9-8(12)10-5-6-1-3-7(4-2-6)11(13)14/h1-4H,5H2,(H3,9,10,12)
InChI Key:
JTVLKCKOMVXJQH-UHFFFAOYSA-N
SMILES:
NC(=O)NCc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.064g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
195.178g/mol
Monoisotopic Mass:
195.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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