Home Nitros 4'-nitroacetoacetanilide

4'-nitroacetoacetanilide

CAS No.:
4835-39-6
Catalog Number:
AG00DDRS
Molecular Formula:
C10H10N2O4
Molecular Weight:
222.1974
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Product Description
Catalog Number:
AG00DDRS
Chemical Name:
4'-nitroacetoacetanilide
CAS Number:
4835-39-6
Molecular Formula:
C10H10N2O4
Molecular Weight:
222.1974
MDL Number:
MFCD00452522
IUPAC Name:
N-(4-nitrophenyl)-3-oxobutanamide
InChI:
InChI=1S/C10H10N2O4/c1-7(13)6-10(14)11-8-2-4-9(5-3-8)12(15)16/h2-5H,6H2,1H3,(H,11,14)
InChI Key:
KCXJQNDNGLRYBN-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)[N+](=O)[O-])CC(=O)C
EC Number:
225-418-2
NSC Number:
25193
Properties
Complexity:
290  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.064g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
222.2g/mol
Monoisotopic Mass:
222.064g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
92A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties