5-Chloro-2-methoxybenzamide

CAT: 0127-OR1003681-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1003681-01Size:100 mg

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CAS Number

23068-80-6

MDL Number

MFCD02729244

Purity

95%

Smiles

COc1ccc(Cl)cc1C(N)=O

Chemical Information

5-Chloro-2-methoxybenzamide

CAS Number	23068-80-6
PubChem CID	3362317
IUPAC Name	5-chloro-2-methoxybenzamide
Molecular Formula	C8H8ClNO2
Molecular Weight	185.61
XLogP	1.9
Topological Polar Surface Area	52.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	174

SMILES

COC1=C(C=C(C=C1)Cl)C(=O)N

InChI

InChI=1S/C8H8ClNO2/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4H,1H3,(H2,10,11)

InChIKey

FZOOOJPISNODNI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 23068-80-6

CID: 3362317

Formula: C8H8ClNO2

MW: 185.61

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	185.61
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	185.0243562
Monoisotopic Mass	185.0243562
Topological Polar Surface Area	52.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	174
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

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Catalog	Name
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