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88693-12-3

88693-12-3 | Hydrazinecarboxylic acid, [(2-nitrophenyl)methylene]-, methyl ester

CAS No: 88693-12-3 Catalog No: AG0046MF MDL No:

Product Description

Catalog Number:
AG0046MF
Chemical Name:
Hydrazinecarboxylic acid, [(2-nitrophenyl)methylene]-, methyl ester
CAS Number:
88693-12-3
Molecular Formula:
C9H9N3O4
Molecular Weight:
223.1855
IUPAC Name:
methyl N-[(2-nitrophenyl)methylideneamino]carbamate
InChI:
InChI=1S/C9H9N3O4/c1-16-9(13)11-10-6-7-4-2-3-5-8(7)12(14)15/h2-6H,1H3,(H,11,13)
InChI Key:
ADSKYUWIROATHE-UHFFFAOYSA-N
SMILES:
COC(=O)NN=Cc1ccccc1[N+](=O)[O-]

Properties

Complexity:
287  
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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