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21031-46-9 | 3-Butenenitrile, 3-chloro-
CAS No: 21031-46-9 Catalog No: AG002KPK MDL No:
Product Description
Catalog Number:
AG002KPK
Chemical Name:
3-Butenenitrile, 3-chloro-
CAS Number:
21031-46-9
Molecular Formula:
C4H4ClN
Molecular Weight:
101.5343
IUPAC Name:
3-chlorobut-3-enenitrile
InChI:
InChI=1S/C4H4ClN/c1-4(5)2-3-6/h1-2H2
InChI Key:
OLUOHHXYBBNVPD-UHFFFAOYSA-N
SMILES:
ClC(=C)CC#N
Properties
Complexity:
97.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
101.003g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
101.533g/mol
Monoisotopic Mass:
101.003g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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