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102393-47-5 | Cyclohexanecarbonyl chloride, 3,3-dimethyl-
CAS No: 102393-47-5 Catalog No: AG0007BR MDL No:
Product Description
Catalog Number:
AG0007BR
Chemical Name:
Cyclohexanecarbonyl chloride, 3,3-dimethyl-
CAS Number:
102393-47-5
Molecular Formula:
C9H15ClO
Molecular Weight:
174.6678
IUPAC Name:
3,3-dimethylcyclohexane-1-carbonyl chloride
InChI:
InChI=1S/C9H15ClO/c1-9(2)5-3-4-7(6-9)8(10)11/h7H,3-6H2,1-2H3
InChI Key:
YSYJEQYWWQLAPG-UHFFFAOYSA-N
SMILES:
ClC(=O)C1CCCC(C1)(C)C
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.081g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.668g/mol
Monoisotopic Mass:
174.081g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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