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13107-92-1 | Pentane, 1-chloro-5-isocyanato-
CAS No: 13107-92-1 Catalog No: AG000VHG MDL No:
Product Description
Catalog Number:
AG000VHG
Chemical Name:
Pentane, 1-chloro-5-isocyanato-
CAS Number:
13107-92-1
Molecular Formula:
C6H10ClNO
Molecular Weight:
147.6027
IUPAC Name:
1-chloro-5-isocyanatopentane
InChI:
InChI=1S/C6H10ClNO/c7-4-2-1-3-5-8-6-9/h1-5H2
InChI Key:
OTQFXPKHUSVOLY-UHFFFAOYSA-N
SMILES:
ClCCCCCN=C=O
Properties
Complexity:
99.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.045g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
147.602g/mol
Monoisotopic Mass:
147.045g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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