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88692-96-0

88692-96-0 | Hydrazinecarboxylic acid, [(4-nitrophenyl)methylene]-, methyl ester

CAS No: 88692-96-0 Catalog No: AG0047NI MDL No:

Product Description

Catalog Number:
AG0047NI
Chemical Name:
Hydrazinecarboxylic acid, [(4-nitrophenyl)methylene]-, methyl ester
CAS Number:
88692-96-0
Molecular Formula:
C9H9N3O4
Molecular Weight:
223.1855
IUPAC Name:
methyl N-[(4-nitrophenyl)methylideneamino]carbamate
InChI:
InChI=1S/C9H9N3O4/c1-16-9(13)11-10-6-7-2-4-8(5-3-7)12(14)15/h2-6H,1H3,(H,11,13)
InChI Key:
BOHLDNPMHREUCY-UHFFFAOYSA-N
SMILES:
COC(=O)NN=Cc1ccc(cc1)[N+](=O)[O-]

Properties

Complexity:
279  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.059g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
223.188g/mol
Monoisotopic Mass:
223.059g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
96.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
1.4  

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