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Home > Nitro Compounds > 338404-33-4
338404-33-4 | 3-[(1Z)-(hydroxyimino)methyl]-1-[(4-nitrophenyl)methoxy]urea
CAS No: 338404-33-4 Catalog No: AG00IXX2 MDL No:MFCD00139691
Product Description
Catalog Number:
AG00IXX2
Chemical Name:
3-[(1Z)-(hydroxyimino)methyl]-1-[(4-nitrophenyl)methoxy]urea
CAS Number:
338404-33-4
Molecular Formula:
C9H10N4O5
Molecular Weight:
254.1995
MDL Number:
MFCD00139691
IUPAC Name:
1-(hydroxyiminomethyl)-3-[(4-nitrophenyl)methoxy]urea
InChI:
InChI=1S/C9H10N4O5/c14-9(10-6-11-15)12-18-5-7-1-3-8(4-2-7)13(16)17/h1-4,6,15H,5H2,(H2,10,11,12,14)
InChI Key:
NWQPZHYPJOXCED-UHFFFAOYSA-N
SMILES:
O/N=C\NC(=O)NOCc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.065g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
254.202g/mol
Monoisotopic Mass:
254.065g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.8
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