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138450-48-3 | Cyclobutanecarbonitrile, 1-chloro-3-oxo-
CAS No: 138450-48-3 Catalog No: AG00196R MDL No:
Product Description
Catalog Number:
AG00196R
Chemical Name:
Cyclobutanecarbonitrile, 1-chloro-3-oxo-
CAS Number:
138450-48-3
Molecular Formula:
C5H4ClNO
Molecular Weight:
129.5444
IUPAC Name:
1-chloro-3-oxocyclobutane-1-carbonitrile
InChI:
InChI=1S/C5H4ClNO/c6-5(3-7)1-4(8)2-5/h1-2H2
InChI Key:
ZXGFSIKNHNFOAQ-UHFFFAOYSA-N
SMILES:
N#CC1(Cl)CC(=O)C1
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.998g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
129.543g/mol
Monoisotopic Mass:
128.998g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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