3-Amino-3- (2,4-dichlorophenyl) -propionic acid

CAT: 0127-OR307577Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR307577Size:1 g

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CAS Number

152606-17-2

MDL Number

MFCD02663185

Purity

95%

Smiles

NC(CC(=O)O)c1ccc(Cl)cc1Cl

Chemical Information

3-Amino-3-(2,4-Dichlorophenyl)-Propionic Acid

CAS Number	152606-17-2
PubChem CID	600035
IUPAC Name	3-amino-3-(2,4-dichlorophenyl)propanoic acid
Molecular Formula	C9H9Cl2NO2
Molecular Weight	234.08
XLogP	-0.7
Topological Polar Surface Area	63.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	213

SMILES

C1=CC(=C(C=C1Cl)Cl)C(CC(=O)O)N

InChI

InChI=1S/C9H9Cl2NO2/c10-5-1-2-6(7(11)3-5)8(12)4-9(13)14/h1-3,8H,4,12H2,(H,13,14)

InChIKey

QGHQDRDWQIHGKZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 152606-17-2

CID: 600035

Formula: C9H9Cl2NO2

MW: 234.08

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	234.08
XLogP3	-0.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	233.0010339
Monoisotopic Mass	233.0010339
Topological Polar Surface Area	63.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	213
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
OR90075-01	BOc-3-Amino-3- (2,3-dichlorophenyl) -propionic acid
OR1021335-01	3- (2,6-Dichlorophenyl) propionic acid
OR1059519-01	(R) -3-Amino-3- (2,4-dichlorophenyl) propanoic acid
OR1059488-01	(S) -3-Amino-3- (2,4-dichlorophenyl) propanoic acid
OR1057332-01	(S) -3-Amino-3- (3,4-dichlorophenyl) propanoic acid
OR1057302-01	(R) -3-Amino-3- (3,4-dichlorophenyl) propanoic acid
OR12449	Amino (3,4-dichlorophenyl) acetic acid
OR307573-01	3-Amino-3- (4-isopropylphenyl) -propionic acid
OR14360	3-Amino-3- (2,3-dichlorophenyl) propanoic acid
OR90326-01	3- ((tert-Butoxycarbonyl) amino) -3- (2,4-dichlorophenyl) propanoic acid

Catalog	Name
sc-288904A	3-Amino-3- (2,4-dichlorophenyl) -propionic acid
260848-01	S-3-Amino-3- (2,4-dichlorophenyl) propionic acid
260847-01	(R) -3-Amino-3- (2,4-dichlorophenyl) propionic acid
sc-296336A	(S) -3-Amino-3- (2,4-dichlorophenyl) propionic acid
274204-01	3- (2,4-Dichlorophenyl) propionic acid
241833-01	S-3-Amino-3- (2,4-dichlorophenyl) propionic acid 98+%
sc-293595	Boc- (S) -3-amino-3- (2,4-dichlorophenyl) propionic acid
sc-294682A	Fmoc- (S) -3-amino-3- (2,4-dichlorophenyl) propionic acid
sc-293557A	Boc- (R) -3-amino-3- (2,4-dichlorophenyl) propionic acid
sc-296334	(S) -3-Amino-3- (2,3-dichlorophenyl) propionic acid