2-Chloro-N-methylpropanamide

CAT: 0127-OR1038082-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR1038082-01Size:1 g

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CAS Number

42275-47-8

MDL Number

MFCD07345516

Purity

97%

Smiles

CC(Cl)C(NC)=O

Chemical Information

2-Chloro-N-methylpropanamide

CAS Number	42275-47-8
PubChem CID	14870193
IUPAC Name	2-chloro-N-methylpropanamide
Molecular Formula	C4H8ClNO
Molecular Weight	121.56
XLogP	0.6
Topological Polar Surface Area	29.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	7
Formal Charge	0
Complexity	74

SMILES

CC(C(=O)NC)Cl

InChI

InChI=1S/C4H8ClNO/c1-3(5)4(7)6-2/h3H,1-2H3,(H,6,7)

InChIKey

NKUQJMNRULPRAM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 42275-47-8

CID: 14870193

Formula: C4H8ClNO

MW: 121.56

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	121.56
XLogP3	0.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	121.0294416
Monoisotopic Mass	121.0294416
Topological Polar Surface Area	29.1 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	74.1
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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