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(2E)-3-(3-bromophenyl)prop-2-en-1-ol

(2E)-3-(3-bromophenyl)prop-2-en-1-ol

CAS: 86610-62-0

Formula: C9H9BrO

SMILES: OCC=CC1=CC(Br)=CC=C1

IUPAC: (2E)-3-(3-bromophenyl)prop-2-en-1-ol

InChI: InChI=1S/C9H9BrO/c10-9-5-1-3-8(7-9)4-2-6-11/h1-5,7,11H,6H2/b4-2+

Composition: C (50.73%), H (4.26%), Br (37.50%), O (7.51%)

Molar Mass: 213.074

Atom Count: 20

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 211.983678
Formal Charge 0
FSP3 0.11
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey FSYTZONKJWJPPJ-DUXPYHPUSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.82
Topological Polar Surface Area 20.23
Polarizability 18.97
Ring Count 1
Rotatable Bond Count 2

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