2-Naphthyl isocyanate

CAT: 0926-CAA24354Size: 2.5 gDry Ice: NoHazardous: No

1 / 1

CAT#:0926-CAA24354Size:2.5 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

2243-54-1

MDL Number

MFCD00014319

Smiles

C1=CC=C2C=C (C=CC2=C1) N=C=O

Molecular Formula

C11H7NO

Molecular Weight

169.18 g/mol

Controlled

Chemical Information

2-Naphthyl isocyanate

CAS Number	2243-54-1
PubChem CID	16718
IUPAC Name	2-isocyanatonaphthalene
Molecular Formula	C11H7NO
Molecular Weight	169.18
XLogP	3.7
Topological Polar Surface Area	29.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	220

SMILES

C1=CC=C2C=C(C=CC2=C1)N=C=O

InChI

InChI=1S/C11H7NO/c13-8-12-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H

InChIKey

XIXJQNFTNSQTBT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2243-54-1

CID: 16718

Formula: C11H7NO

MW: 169.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	169.18
XLogP3	3.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	169.052763847
Monoisotopic Mass	169.052763847
Topological Polar Surface Area	29.4 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	220
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FT01740-01	2-Toluenesulfonyl isocyanate
FC07005-01	2-Chloroethyl isocyanate
EAA46120-01	2,2-Dimethylpropanecarbonyl isocyanate
FT00298-01	2,2,2, -Trichloroacetyl isocyanate
HAA69350	2-Naphthyl Chloroformate
FN62001	2-Naphthyl Benzoate
FN52323-01	2-Naphthyl myristate
EN11356-01	2-Naphthyl caprylate
EN10875-01	2-Naphthyl butyrate
PCA90233-01	Thiophene-2-sulfonyl isocyanate