Benzene, 1-(1-isocyanato-1-methylethyl)-4-(1-methylethenyl)-

1-(2-isocyanatopropan-2-yl)-4-prop-1-en-2-ylbenzene

CAS: 2889-58-9

Molecular Formula	`C13H15NO`
Molecular Weight	201.26 g/mol
LogP	4.6
Topological Polar Surface Area	29.4 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	2
Rotatable Bonds	3
Exact Mass	201.11537
Heavy Atoms	15
Complexity	279.0

Chemical Identifiers

CAS Number	2889-58-9
SMILES	`CC(=C)C1=CC=C(C=C1)C(C)(C)N=C=O`
InChIKey	`JRLLJITWABKEKE-UHFFFAOYSA-N`

📖 Product Overview

Benzene, 1-(1-isocyanato-1-methylethyl)-4-(1-methylethenyl)- (CAS: 2889-58-9) is a chemical compound with molecular formula C13H15NO and molecular weight 201.26 g/mol. Its IUPAC systematic name is 1-(2-isocyanatopropan-2-yl)-4-prop-1-en-2-ylbenzene. LogP 4.6 Topological Polar Surface Area 29.4 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 2 Rotatable Bonds 3 Exact Mass 201.11537 Heavy Atoms 15 Complexity 279.0 InChI Key: JRLLJITWABKEKE-UHFFFAOYSA-N. SMILES: CC(=C)C1=CC=C(C=C1)C(C)(C)N=C=O.

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