2-Chlorophenylalanine hydrochloride

CAT: 0926-VEA10863-01Size: 0.25 gDry Ice: NoHazardous: No

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CAT#:0926-VEA10863-01Size:0.25 g

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CAS Number

120108-63-6

MDL Number

MFCD18910896

Smiles

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

Molecular Formula

C9H11Cl2NO2

Molecular Weight

236.09 g/mol

Controlled

Chemical Information

2-Chlorophenylalanine hydrochloride

CAS Number	120108-63-6
PubChem CID	11287790
IUPAC Name	2-amino-3-(2-chlorophenyl)propanoic acid;hydrochloride
Molecular Formula	C9H11Cl2NO2
Molecular Weight	236.09
Topological Polar Surface Area	63.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	186

SMILES

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

InChI

InChI=1S/C9H10ClNO2.ClH/c10-7-4-2-1-3-6(7)5-8(11)9(12)13;/h1-4,8H,5,11H2,(H,12,13);1H

InChIKey

JDVNKKKRAFSXTH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 120108-63-6

CID: 11287790

Formula: C9H11Cl2NO2

MW: 236.09

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	236.09
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	235.0166840
Monoisotopic Mass	235.0166840
Topological Polar Surface Area	63.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	186
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	2
Compound Is Canonicalized	Yes

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