2-Chloropropionic Acid

CAT: 0127-OR1079266-02Size: 500 gDry Ice: NoHazardous: No

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CAT#:0127-OR1079266-02Size:500 g

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CAS Number

598-78-7

MDL Number

MFCD00004224

Purity

>98.0%

Smiles

CC (C (=O) O) Cl

Chemical Information

2-Chloropropionic acid

2-Chloropropionic Acid can cause male reproductive toxicity according to an independent committee of scientific and health experts.

CAS Number	598-78-7
PubChem CID	11734
IUPAC Name	2-chloropropanoic acid
Molecular Formula	C3H5ClO2
Molecular Weight	108.52
XLogP	0.8
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	6
Formal Charge	0
Complexity	61

SMILES

CC(C(=O)O)Cl

InChI

InChI=1S/C3H5ClO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)

InChIKey

GAWAYYRQGQZKCR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 598-78-7

CID: 11734

Formula: C3H5ClO2

MW: 108.52

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	108.52
XLogP3	0.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	107.9978071
Monoisotopic Mass	107.9978071
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	61.8
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
OR923420-01	3-Chloropropionic acid
OR922263-01	3-Chloropropionic acid phenyl ester
OR52411-01	(2R) - (+) -2-Chloropropanoic acid
OR28944-01	(2S) -2-Chloropropanoic acid
OR90032-01	(S) -2-Amino-3-chloropropanoic acid
OR73857-01	(R) -2- ((tert-Butoxycarbonyl) amino) -3-chloropropanoic acid
PC1007558-01	2- (2-Pyridyloxy) acetic acid;2,2,2-trifluoroacetic acid
OR98248	2-Chloropropionyl chloride
OR1102080-01	2,2'-Sulfinyldiacetic acid
BUP18751	2,2-Dimethylsuccinic acid

Catalog	Name
MBS6094731-01	(S)-(-)-2-Chloropropionic Acid (L-(a)-chloropropionic acid)
C5029-55	(R) - (+) -2-Chloropropionic Acid (D- (a) -Chloropropionic Acid)
MBS6058227-01	(R)-(+)-2-Chloropropionic Acid (D-(a)-Chloropropionic Acid)
C5029-56	S- (-) -2-Chloropropionic Acid (L- (a) -chloropropionic acid)
269405-01	2-Chloropropionic acid
4010408.0005	R(+)-2-Chloropropionic acid
268519-01	(R) - (+) -2-Chloropropionic acid
sc-358539	(S) - (-) -2-Chloropropionic Acid
TRC-C379695-1G	(R)-(+)-2-Chloropropionic Acid
C18573-01	(s) (-) -2-Chloropropionic acid