N-(4-chloro-2-nitrophenyl)-3-oxobutanamide

N-(4-chloro-2-nitrophenyl)-3-oxobutanamide

CAS: 34797-69-8

Formula: C10H9ClN2O4

SMILES: CC(=O)CC(=O)NC1=C(C=C(Cl)C=C1)[N+]([O-])=O

IUPAC: N-(4-chloro-2-nitrophenyl)-3-oxobutanamide

InChI: InChI=1S/C10H9ClN2O4/c1-6(14)4-10(15)12-8-3-2-7(11)5-9(8)13(16)17/h2-3,5H,4H2,1H3,(H,12,15)

Composition: C (46.80%), H (3.53%), Cl (13.81%), N (10.92%), O (24.94%)

Molar Mass: 256.64

Atom Count: 26

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	256.0250845
Formal Charge	0
FSP3	0.2
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	KLMIREBDPKVUQJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.94
Topological Polar Surface Area	89.31
Polarizability	22.88
Ring Count	1
Rotatable Bond Count	4

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