3-(4-bromophenoxy)propanenitrile

3-(4-bromophenoxy)propanenitrile

CAS: 118449-57-3

Formula: C9H8BrNO

SMILES: BrC1=CC=C(OCCC#N)C=C1

IUPAC: 3-(4-bromophenoxy)propanenitrile

InChI: InChI=1S/C9H8BrNO/c10-8-2-4-9(5-3-8)12-7-1-6-11/h2-5H,1,7H2

Composition: C (47.82%), H (3.57%), Br (35.34%), N (6.20%), O (7.08%)

Molar Mass: 226.073

Atom Count: 20

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	224.978927
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	JXVPKJBXTXXLPN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.91
Topological Polar Surface Area	33.02
Polarizability	19.2
Ring Count	1
Rotatable Bond Count	3

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