4-bromo-2-tert-butylbenzonitrile

4-bromo-2-tert-butylbenzonitrile

CAS: 1369819-64-6

Formula: C11H12BrN

SMILES: CC(C)(C)C1=CC(Br)=CC=C1C#N

IUPAC: 4-bromo-2-tert-butylbenzonitrile

InChI: InChI=1S/C11H12BrN/c1-11(2,3)10-6-9(12)5-4-8(10)7-13/h4-6H,1-3H3

Composition: C (55.48%), H (5.08%), Br (33.56%), N (5.88%)

Molar Mass: 238.128

Atom Count: 25

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	237.015312
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	RFPUYUKQNAQOFM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.07
Topological Polar Surface Area	23.79
Polarizability	22.16
Ring Count	1
Rotatable Bond Count	1

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