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4-bromobutylboronic acid

4-bromobutylboronic acid

CAS: 61632-72-2

Formula: C4H10BBrO2

SMILES: OB(O)CCCCBr

IUPAC: (4-bromobutyl)boronic acid

InChI: InChI=1S/C4H10BBrO2/c6-4-2-1-3-5(7)8/h7-8H,1-4H2

Composition: C (26.57%), H (5.57%), B (5.98%), Br (44.19%), O (17.69%)

Molar Mass: 180.84

Atom Count: 18

Heavy Atom Count: 8

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 179.995723
Formal Charge 0
FSP3 1
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey VYJXKSGBEKVCJK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 32.67
Topological Polar Surface Area 40.46
Polarizability 14.17
Ring Count 0
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
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