Hexadecylisocyanate

CAT: 0127-OR1006592-02Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR1006592-02Size:5 g

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

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CAS Number

1943-84-6

Purity

95%

Smiles

CCCCCCCCCCCCCCCCN=C=O

Chemical Information

Hexadecane, 1-isocyanato-

CAS Number	1943-84-6
PubChem CID	74751
IUPAC Name	1-isocyanatohexadecane
Molecular Formula	C17H33NO
Molecular Weight	267.4
XLogP	8.7
Topological Polar Surface Area	29.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	15
Heavy Atom Count	19
Formal Charge	0
Complexity	209

SMILES

CCCCCCCCCCCCCCCCN=C=O

InChI

InChI=1S/C17H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17-19/h2-16H2,1H3

InChIKey

GFLXBRUGMACJLQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1943-84-6

CID: 74751

Formula: C17H33NO

MW: 267.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	267.4
XLogP3	8.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	15
Exact Mass	267.256214676
Monoisotopic Mass	267.256214676
Topological Polar Surface Area	29.4 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	209
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