(2S)-2-amino-3-(2-chloro-4-methoxyphenyl)propanoic acid hydrochloride

(2S)-2-amino-3-(2-chloro-4-methoxyphenyl)propanoic acid hydrochloride

CAS: 2703746-15-8

Formula: C10H13Cl2NO3

SMILES: Cl.COC1=CC=C(C[C@H](N)C(O)=O)C(Cl)=C1

IUPAC: (2S)-2-amino-3-(2-chloro-4-methoxyphenyl)propanoic acid hydrochloride

InChI: InChI=1S/C10H12ClNO3.ClH/c1-15-7-3-2-6(8(11)5-7)4-9(12)10(13)14;/h2-3,5,9H,4,12H2,1H3,(H,13,14);1H/t9-;/m0./s1

Composition: C (45.13%), H (4.92%), Cl (26.64%), N (5.26%), O (18.04%)

Molar Mass: 266.12

Atom Count: 29

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	265.0272487
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	SCOLLCOYTAYRSA-FVGYRXGTSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.38
Topological Polar Surface Area	72.55
Polarizability	22.34
Ring Count	1
Rotatable Bond Count	4

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