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88310-67-2 | 1-Pentene, 2-chloro-1-isocyanato-
CAS No: 88310-67-2 Catalog No: AG0048PY MDL No:
Product Description
Catalog Number:
AG0048PY
Chemical Name:
1-Pentene, 2-chloro-1-isocyanato-
CAS Number:
88310-67-2
Molecular Formula:
C6H8ClNO
Molecular Weight:
145.5868
IUPAC Name:
2-chloro-1-isocyanatopent-1-ene
InChI:
InChI=1S/C6H8ClNO/c1-2-3-6(7)4-8-5-9/h4H,2-3H2,1H3
InChI Key:
OZMAZWZYMHJDSW-UHFFFAOYSA-N
SMILES:
CCCC(=CN=C=O)Cl
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.029g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
145.586g/mol
Monoisotopic Mass:
145.029g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
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