isocyanocycloheptane, 95%

Name: isocyanocycloheptane
Brand: Chempure

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CAS Number

134420-07-8

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About this item

IUPAC name	isocyanocycloheptane
canonical smiles	[C-]#[N+]C1CCCCCC1
inchi	InChI=1S/C8H13N/c1-9-8-6-4-2-3-5-7-8/h8H,2-7H2
inchi key	BMPCFAVGGPXHFI-UHFFFAOYSA-N
molecular formula	C8H13N
synonyms	cycloheptyl isocyanide isocyanocycloheptane 134420-07-8 Cycloheptane, isocyano- (9CI) cycloheptylisocyanide, AldrichCPR

Computed Properties

Molecular Weight:	123.20 g/mol
XLogP3:	2.2
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	1
Rotatable Bond Count:	0
Exact Mass:	123.104799419 g/mol
Monoisotopic Mass:	123.104799419 g/mol
Topological Polar Surface Area:	4.4 Å²
Heavy Atom Count:	9
Formal Charge:	0
Complexity:	112
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

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Product No: BG7849

isocyanocycloheptane, 95%

Product No: BG7849

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