3-Chloro-N-methylpropanamide

CAT: 0127-OR1040173-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1040173-01Size:250 mg

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CAS Number

41789-28-0

MDL Number

MFCD02973598

Purity

98%

Smiles

O=C(NC)CCCl

Chemical Information

3-Chloro-N-methylpropanamide

CAS Number	41789-28-0
PubChem CID	249378
IUPAC Name	3-chloro-N-methylpropanamide
Molecular Formula	C4H8ClNO
Molecular Weight	121.56
XLogP	0.1
Topological Polar Surface Area	29.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	7
Formal Charge	0
Complexity	64

SMILES

CNC(=O)CCCl

InChI

InChI=1S/C4H8ClNO/c1-6-4(7)2-3-5/h2-3H2,1H3,(H,6,7)

InChIKey

UZWXYEHTFDWCIS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 41789-28-0

CID: 249378

Formula: C4H8ClNO

MW: 121.56

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	121.56
XLogP3	0.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	121.0294416
Monoisotopic Mass	121.0294416
Topological Polar Surface Area	29.1 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	64.7
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
sc-346768A	3-chloro-N-methylpropanamide
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EXA43863-01	2-Chloro-N-cyclohexyl-N-methylpropanamide
TXA56740-01	N-Benzyl-2-chloro-N-methylpropanamide
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