N- (4-Chlorophenyl) -2-nitrobenzamide

CAT: 0926-FC131143-01Size: 5000 mgDry Ice: NoHazardous: No

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CAT#:0926-FC131143-01Size:5000 mg

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CAS Number

41562-57-6

Synonyms

N- (4-chlorophenyl) -2-nitro-benzamide

MDL Number

MFCD00170979

Smiles

C1=CC=C (C (=C1) C (=O) NC2=CC=C (C=C2) Cl) [N+] (=O) [O-]

Molecular Formula

C13H9ClN2O3

Molecular Weight

276.67 g/mol

Controlled

Chemical Information

N-(4-chlorophenyl)-2-nitrobenzamide

CAS Number	41562-57-6
PubChem CID	695261
IUPAC Name	N-(4-chlorophenyl)-2-nitrobenzamide
Molecular Formula	C13H9ClN2O3
Molecular Weight	276.67
XLogP	2.4
Topological Polar Surface Area	74.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	19
Formal Charge	0
Complexity	337

SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H9ClN2O3/c14-9-5-7-10(8-6-9)15-13(17)11-3-1-2-4-12(11)16(18)19/h1-8H,(H,15,17)

InChIKey

XCENMAGLUPDPPI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 41562-57-6

CID: 695261

Formula: C13H9ClN2O3

MW: 276.67

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	276.67
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	276.0301698
Monoisotopic Mass	276.0301698
Topological Polar Surface Area	74.9 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	337
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
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XAA97855-01	2-Chloro-N- (4-hydroxyphenyl) -5-nitrobenzamide
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JBA48984-01	N- (2-Bromophenyl) -2-nitrobenzamide
NMA24145-01	N- (4-Hydroxyphenyl) -3-nitrobenzamide
SGA83435-01	N- (2-Methoxyethyl) -3-nitrobenzamide
FN71268-01	2-Nitrobenzamide

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OR1064268-01	4-Bromo-2-nitrobenzamide
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