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(2S)-2-amino-4-(3-chlorophenyl)butanoic acid

(2S)-2-amino-4-(3-chlorophenyl)butanoic acid

CAS: 1260590-15-5

Formula: C10H12ClNO2

SMILES: N[C@@H](CCC1=CC=CC(Cl)=C1)C(O)=O

IUPAC: (2S)-2-amino-4-(3-chlorophenyl)butanoic acid

InChI: InChI=1S/C10H12ClNO2/c11-8-3-1-2-7(6-8)4-5-9(12)10(13)14/h1-3,6,9H,4-5,12H2,(H,13,14)/t9-/m0/s1

Composition: C (56.22%), H (5.66%), Cl (16.59%), N (6.56%), O (14.98%)

Molar Mass: 213.66

Atom Count: 26

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 213.0556563
Formal Charge 0
FSP3 0.3
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey XHVNXVGEFJHTMY-VIFPVBQESA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.52
Topological Polar Surface Area 63.32
Polarizability 21.62
Ring Count 1
Rotatable Bond Count 4

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Acrotein ChemBio Inc.,
Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 1260590-15-5 $233.28-$517.44$233.28$344.64$517.44
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