(2S,3S)-2-chloro-3-methylpentanoic acid

(2S,3S)-2-chloro-3-methylpentanoic acid

CAS: 32653-34-2

Formula: C6H11ClO2

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

IUPAC: (2S,3S)-2-chloro-3-methylpentanoic acid

InChI: InChI=1S/C6H11ClO2/c1-3-4(2)5(7)6(8)9/h4-5H,3H2,1-2H3,(H,8,9)/t4-,5-/m0/s1

Composition: C (47.85%), H (7.36%), Cl (23.54%), O (21.25%)

Molar Mass: 150.6

Atom Count: 20

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	150.0447573
Formal Charge	0
FSP3	0.83
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	QMYSXXQDOZTXAE-WHFBIAKZSA-N
Lipinski's Rule of Five	1
Molar Refractivity	35.49
Topological Polar Surface Area	37.3
Polarizability	14.2
Ring Count	0
Rotatable Bond Count	3

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