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3-bromobutanoic acid

3-bromobutanoic acid

CAS: 2623-86-1

Formula: C4H7BrO2

SMILES: CC(Br)CC(O)=O

IUPAC: 3-bromobutanoic acid

InChI: InChI=1/C4H7BrO2/c1-3(5)2-4(6)7/h3H,2H2,1H3,(H,6,7)

Composition: C (28.77%), H (4.23%), Br (47.85%), O (19.16%)

Molar Mass: 167.002

Atom Count: 14

Heavy Atom Count: 7

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 165.962942
Formal Charge 0
FSP3 0.75
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey HAIUIAZIUDPZIE-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 29.5
Topological Polar Surface Area 37.3
Polarizability 11.65
Ring Count 0
Rotatable Bond Count 2

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