1-chloro-4-(isocyanatomethyl)benzene

1-chloro-4-(isocyanatomethyl)benzene

CAS: 30280-44-5

Formula: C8H6ClNO

SMILES: ClC1=CC=C(CN=C=O)C=C1

IUPAC: 1-chloro-4-(isocyanatomethyl)benzene

InChI: InChI=1S/C8H6ClNO/c9-8-3-1-7(2-4-8)5-10-6-11/h1-4H,5H2

Composition: C (57.33%), H (3.61%), Cl (21.15%), N (8.36%), O (9.55%)

Molar Mass: 167.59

Atom Count: 17

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	167.0137915
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	OAXSVEFCBLZGCA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.76
Topological Polar Surface Area	29.43
Polarizability	16.39
Ring Count	1
Rotatable Bond Count	2

Suppliers

Life Chemicals USA, Inc.

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<7 Days	30280-44-5		$69.30-$792.00$69.30$113.85$144.54$324.72$440.55$792.00

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<7 Days	30280-44-5		$280.49-$875.61$280.49$399.51$875.61