3-Chloropropanamide

CAT: 0127-OR26786-01Size: 1 gDry Ice: NoHazardous: No

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CAS Number

5875-24-1

Synonyms

3-Chloropropionamide

MDL Number

MFCD00008040

Purity

97%

Smiles

NC(=O)CCCl

Chemical Information

3-Chloropropanamide

structure in first source

CAS Number	5875-24-1
PubChem CID	79982
IUPAC Name	3-chloropropanamide
Molecular Formula	C3H6ClNO
Molecular Weight	107.54
XLogP	-0.3
Topological Polar Surface Area	43.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	6
Formal Charge	0
Complexity	54

SMILES

C(CCl)C(=O)N

InChI

InChI=1S/C3H6ClNO/c4-2-1-3(5)6/h1-2H2,(H2,5,6)

InChIKey

JQDXZJYAUSVHDH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5875-24-1

CID: 79982

Formula: C3H6ClNO

MW: 107.54

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	107.54
XLogP3	-0.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	107.0137915
Monoisotopic Mass	107.0137915
Topological Polar Surface Area	43.1 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	54.8
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
PC1006279-01	N-[3,5-Bis (trifluoromethyl) phenyl]-2-chloropropanamide
BUP23677-01	N- (2-benzoylphenyl) -2-chloropropanamide
OR94695	N- (4-Tert-butylphenyl) -2-chloropropanamide
OR28202	N1- (1-benzyl-4-piperidyl) -2-chloropropanamide
OR1058983-01	3- (3-Chloropropanamido) phenyl 3-chloropropanoate
OR1030502-01	2-Chloropropionamide
OR1057142-01	Ethyl 2- (3-chloropropanamido) -5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
OR85052	2- (2-Chloropropanamido) -4h,5h,6h-cyclopenta[b]thiophene-3-carboxamide
PC6825	3,3,3-Trifluoropropyl 3,3,3-trifluoropropanoate
PC7820FJ-01	3- (3,3,3-Trifluoropropyl) heptamethyltrisiloxane

Catalog	Name
RG-A261311-01	3-Chloropropanamide
sc-480515	N- (Aminosulfonyl) -3-chloropropanamide
sc-279610	N- (aminocarbonyl) -3-chloropropanamide
FB169147-01	N- (3-Bromophenyl) -2-chloropropanamide
FB127518-01	N- (4-Bromophenyl) -3-chloropropanamide
457363-01	N- (Aminosulfonyl) -3-chloropropanamide discontinued
sc-354264	N- (2-benzoylphenyl) -3-chloropropanamide
sc-354276	N- (2-bromophenyl) -3-chloropropanamide
FC169981	N- (3-Cyanophenyl) -2-chloropropanamide
FA125325-01	N- (4-Acetylphenyl) -3-chloropropanamide