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13131-74-3 | Cyclohexane, 1-chloro-4-(1,1-dimethylethyl)-, cis-
CAS No: 13131-74-3 Catalog No: AG000VXE MDL No:
Product Description
Catalog Number:
AG000VXE
Chemical Name:
Cyclohexane, 1-chloro-4-(1,1-dimethylethyl)-, cis-
CAS Number:
13131-74-3
Molecular Formula:
C10H19Cl
Molecular Weight:
174.7109
IUPAC Name:
1-tert-butyl-4-chlorocyclohexane
InChI:
InChI=1S/C10H19Cl/c1-10(2,3)8-4-6-9(11)7-5-8/h8-9H,4-7H2,1-3H3
InChI Key:
UFKRVFDHUZGOKG-UHFFFAOYSA-N
SMILES:
Cl[C@@H]1CC[C@@H](CC1)C(C)(C)C
EC Number:
263-392-4
Properties
Complexity:
115
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.118g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.712g/mol
Monoisotopic Mass:
174.118g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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