1-bromo-4-(3-methylbut-3-en-1-yl)benzene

1-bromo-4-(3-methylbut-3-en-1-yl)benzene

CAS: 138624-01-8

Formula: C11H13Br

SMILES: CC(=C)CCC1=CC=C(Br)C=C1

IUPAC: 1-bromo-4-(3-methylbut-3-en-1-yl)benzene

InChI: InChI=1S/C11H13Br/c1-9(2)3-4-10-5-7-11(12)8-6-10/h5-8H,1,3-4H2,2H3

Composition: C (58.69%), H (5.82%), Br (35.49%)

Molar Mass: 225.129

Atom Count: 25

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	224.020063
Formal Charge	0
FSP3	0.27
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
InChIKey	RUXBHBGVJQTCSF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.85
Topological Polar Surface Area	0
Polarizability	21.89
Ring Count	1
Rotatable Bond Count	3

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