2-bromo-4-(hydroxymethyl)benzonitrile

2-bromo-4-(hydroxymethyl)benzonitrile

CAS: 90110-97-7

Formula: C8H6BrNO

SMILES: OCC1=CC(Br)=C(C=C1)C#N

IUPAC: 2-bromo-4-(hydroxymethyl)benzonitrile

InChI: InChI=1S/C8H6BrNO/c9-8-3-6(5-11)1-2-7(8)4-10/h1-3,11H,5H2

Composition: C (45.31%), H (2.85%), Br (37.68%), N (6.61%), O (7.55%)

Molar Mass: 212.046

Atom Count: 17

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	210.963277
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	APZLAHOHUDEQQM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.22
Topological Polar Surface Area	44.02
Polarizability	17.47
Ring Count	1
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<2 Days	90110-97-7		$258.75-$1,104.00$258.75$552.00$1,104.00