2-Chloro-4-methoxybenzamide

CAT: 0127-OR1093237-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1093237-01Size:250 mg

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CAS Number

633313-76-5

MDL Number

MFCD07774196

Purity

97%

Smiles

C1c (cc (c (c1) C (=O) N) Cl) OC

Chemical Information

2-Chloro-4-methoxybenzamide

CAS Number	633313-76-5
PubChem CID	11401194
IUPAC Name	2-chloro-4-methoxybenzamide
Molecular Formula	C8H8ClNO2
Molecular Weight	185.61
XLogP	1.5
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=CC(=C(C=C1)C(=O)N)Cl

InChI

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

InChIKey

MFWJSJYVCGLMKQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 633313-76-5

CID: 11401194

Formula: C8H8ClNO2

MW: 185.61

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	185.61
XLogP3	1.5
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

Catalog	Name
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Catalog	Name
ZAA19074-01	4-Amino-5-chloro-2-methoxybenzamide
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MHB66744-01	4-Bromo-2-methoxybenzamide
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