1-tert-butyl-4-isocyanatobenzene

1-tert-butyl-4-isocyanatobenzene

CAS: 1943-67-5

Formula: C11H13NO

SMILES: CC(C)(C)C1=CC=C(C=C1)N=C=O

IUPAC: 1-tert-butyl-4-isocyanatobenzene

InChI: InChI=1S/C11H13NO/c1-11(2,3)9-4-6-10(7-5-9)12-8-13/h4-7H,1-3H3

Composition: C (75.40%), H (7.48%), N (7.99%), O (9.13%)

Molar Mass: 175.231

Atom Count: 26

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	175.099714043
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	WUWBDQJTQTVBSQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.8
Topological Polar Surface Area	29.43
Polarizability	19.92
Ring Count	1
Rotatable Bond Count	2

Suppliers

AA BLOCKS INC

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<6 Days	1943-67-5		$18.40-$184.00$18.40$28.75$69.00$184.00

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<7 Days	1943-67-5		$24.84-$63.14$24.84$63.14

Kinentia Biosciences LLC

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<14 Days	1943-67-5		$94.50-$158.76$94.50$158.76