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140458-35-1 | 1,3-Cyclopentadiene, 5-chloro-5-methyl-
CAS No: 140458-35-1 Catalog No: AG001CGO MDL No:
Product Description
Catalog Number:
AG001CGO
Chemical Name:
1,3-Cyclopentadiene, 5-chloro-5-methyl-
CAS Number:
140458-35-1
Molecular Formula:
C6H7Cl
Molecular Weight:
114.5728
IUPAC Name:
5-chloro-5-methylcyclopenta-1,3-diene
InChI:
InChI=1S/C6H7Cl/c1-6(7)4-2-3-5-6/h2-5H,1H3
InChI Key:
RJKSJKAFVSTHOY-UHFFFAOYSA-N
SMILES:
CC1(Cl)C=CC=C1
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.024g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
114.572g/mol
Monoisotopic Mass:
114.024g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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