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2-chlorobutanoic acid

2-chlorobutanoic acid

CAS: 4170-24-5

Formula: C4H7ClO2

SMILES: CCC(Cl)C(O)=O

IUPAC: 2-chlorobutanoic acid

InChI: InChI=1/C4H7ClO2/c1-2-3(5)4(6)7/h3H,2H2,1H3,(H,6,7)

Composition: C (39.20%), H (5.76%), Cl (28.93%), O (26.11%)

Molar Mass: 122.55

Atom Count: 14

Heavy Atom Count: 7

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 122.0134572
Formal Charge 0
FSP3 0.75
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey RVBUZBPJAGZHSQ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 26.41
Topological Polar Surface Area 37.3
Polarizability 10.57
Ring Count 0
Rotatable Bond Count 2

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