SR 16832

CAT: 0926-BS166447-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-BS166447-02Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2088135-12-8

Synonyms

2-Chloro-N- (6-methoxy-4-quinolinyl) -5-nitro-benzamide

MDL Number

MFCD31656711

Smiles

COC1=CC2=C (C=CN=C2C=C1) NC (=O) C3=C (C=CC (=C3) [N+] (=O) [O-]) Cl

Molecular Formula

C17H12ClN3O4

Molecular Weight

357.75 g/mol

Controlled

Chemical Information

2-chloro-N-(6-methoxyquinolin-4-yl)-5-nitrobenzamide

CAS Number	2088135-12-8
PubChem CID	134160241
IUPAC Name	2-chloro-N-(6-methoxyquinolin-4-yl)-5-nitrobenzamide
Molecular Formula	C17H12ClN3O4
Molecular Weight	357.7
XLogP	3.5
Topological Polar Surface Area	97
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	25
Formal Charge	0
Complexity	501

SMILES

COC1=CC2=C(C=CN=C2C=C1)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H12ClN3O4/c1-25-11-3-5-15-13(9-11)16(6-7-19-15)20-17(22)12-8-10(21(23)24)2-4-14(12)18/h2-9H,1H3,(H,19,20,22)

InChIKey

CVTZAGCRUDYUGB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2088135-12-8

CID: 134160241

Formula: C17H12ClN3O4

MW: 357.7

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	357.7
XLogP3	3.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	357.0516336
Monoisotopic Mass	357.0516336
Topological Polar Surface Area	97 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	501
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