3- (2,3-Dichlorophenyl) propanoic acid

CAT: 0127-OR73368-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR73368-01Size:1 g

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CAS Number

57915-79-4

MDL Number

MFCD06823953

Purity

98%

Smiles

C1=CC(=C(C(=C1)Cl)Cl)CCC(=O)O

Chemical Information

3-(2,3-Dichlorophenyl)propanoic acid

CAS Number	57915-79-4
PubChem CID	12595101
IUPAC Name	3-(2,3-dichlorophenyl)propanoic acid
Molecular Formula	C9H8Cl2O2
Molecular Weight	219.06
XLogP	2.9
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	184

SMILES

C1=CC(=C(C(=C1)Cl)Cl)CCC(=O)O

InChI

InChI=1S/C9H8Cl2O2/c10-7-3-1-2-6(9(7)11)4-5-8(12)13/h1-3H,4-5H2,(H,12,13)

InChIKey

QJOCBCMKVRKWLM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 57915-79-4

CID: 12595101

Formula: C9H8Cl2O2

MW: 219.06

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	219.06
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	217.9901349
Monoisotopic Mass	217.9901349
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	184
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
OR1046690-01	2- (2,3-Dichlorophenyl) propanoic acid
OR29293-01	3- (2,4-Dichlorophenyl) propanoic acid
OR1010632-01	3- (2,5-Dichlorophenyl) Propanoic Acid
OR75695-01	3- (3,5-Dichlorophenyl) propanoic acid
OR8013-01	3- (3,4-Dichlorophenyl) propanoic acid
OR1039001-01	3- ((2,6-Dichlorophenyl) sulfonamido) propanoic acid
OR29116	2-chloro-3- (2,4-dichlorophenyl) propanoic acid
OR1059519-01	(R) -3-Amino-3- (2,4-dichlorophenyl) propanoic acid
OR1059488-01	(S) -3-Amino-3- (2,4-dichlorophenyl) propanoic acid
OR91745-01	(S) -2-Amino-3- (2,5-dichlorophenyl) propanoic acid

Catalog	Name
sc-344246	3- (2,3-dichlorophenyl) propanoic acid
ABA17322-01	2- (3,4-Dichlorophenyl) propanoic acid
sc-340613	2-[ (2,3-dichlorophenyl) formamido]propanoic acid
sc-298890A	3-Amino-3- (2,3-dichlorophenyl) propanoic acid
sc-335663	3-[ (2,5-dichlorophenyl) sulfonyl]propanoic acid
CAA01278-01	2- (2,6-Dichlorophenyl) propanoic acid
FD59317-01	3- (3,4-dichlorophenyl) propanoic acid
VAC50534-01	2-Amino-2- (3,5-dichlorophenyl) propanoic acid
423729-01	3-Amino-3- (2,4-dichlorophenyl) propanoic acid
AK HP A053-01	3-amino-2- (3,4-dichlorophenyl) propanoic acid