Home Other Building Blocks 1-butyl-4-isocyanatocyclohexane

1-butyl-4-isocyanatocyclohexane

CAS No.:
1016692-78-6
Catalog Number:
AG01AB0Q
Molecular Formula:
C11H19NO
Molecular Weight:
181.2747
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Product Description
Catalog Number:
AG01AB0Q
Chemical Name:
1-butyl-4-isocyanatocyclohexane
CAS Number:
1016692-78-6
Molecular Formula:
C11H19NO
Molecular Weight:
181.2747
MDL Number:
MFCD18297969
IUPAC Name:
1-butyl-4-isocyanatocyclohexane
InChI:
InChI=1S/C11H19NO/c1-2-3-4-10-5-7-11(8-6-10)12-9-13/h10-11H,2-8H2,1H3
InChI Key:
VOTOHOJFCJFEFY-UHFFFAOYSA-N
SMILES:
CCCCC1CCC(CC1)N=C=O
Properties
Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.147g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.279g/mol
Monoisotopic Mass:
181.147g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  
Properties