1-bromo-4-(prop-2-yn-1-yloxy)benzene

1-bromo-4-(prop-2-yn-1-yloxy)benzene

CAS: 33133-45-8

Formula: C9H7BrO

SMILES: BrC1=CC=C(OCC#C)C=C1

IUPAC: 1-bromo-4-(prop-2-yn-1-yloxy)benzene

InChI: InChI=1S/C9H7BrO/c1-2-7-11-9-5-3-8(10)4-6-9/h1,3-6H,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	0
InChIKey	CNMUGKCHFFQLEP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.72
Topological Polar Surface Area	9.23
Polarizability	18.21
Ring Count	1
Rotatable Bond Count	2

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