3-(4-bromophenyl)prop-2-yn-1-ol

3-(4-bromophenyl)prop-2-yn-1-ol

CAS: 37614-58-7

Formula: C9H7BrO

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

IUPAC: 3-(4-bromophenyl)prop-2-yn-1-ol

InChI: InChI=1S/C9H7BrO/c10-9-5-3-8(4-6-9)2-1-7-11/h3-6,11H,7H2

Composition: C (51.22%), H (3.34%), Br (37.86%), O (7.58%)

Molar Mass: 211.058

Atom Count: 18

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	209.968028
Formal Charge	0
FSP3	0.11
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	XXVUZDYGEDBOHT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.13
Topological Polar Surface Area	20.23
Polarizability	18.15
Ring Count	1
Rotatable Bond Count	2

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