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4-bromobutanoic acid

4-bromobutanoic acid

CAS: 2623-87-2

Formula: C4H7BrO2

SMILES: OC(=O)CCCBr

IUPAC: 4-bromobutanoic acid

InChI: InChI=1S/C4H7BrO2/c5-3-1-2-4(6)7/h1-3H2,(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 0
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 GRHQDJDRGZFIPO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 29.83
Topological Polar Surface Area 37.3
Polarizability 11.65
Ring Count 0
Rotatable Bond Count 3

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