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13064-92-1 | Cyclohexanecarbonyl chloride, 2-methyl-, trans- (8CI,9CI)
CAS No: 13064-92-1 Catalog No: AG000UQU MDL No:
Product Description
Catalog Number:
AG000UQU
Chemical Name:
Cyclohexanecarbonyl chloride, 2-methyl-, trans- (8CI,9CI)
CAS Number:
13064-92-1
Molecular Formula:
C8H13ClO
Molecular Weight:
160.6412
IUPAC Name:
(1R,2R)-2-methylcyclohexane-1-carbonyl chloride
InChI:
InChI=1S/C8H13ClO/c1-6-4-2-3-5-7(6)8(9)10/h6-7H,2-5H2,1H3/t6-,7-/m1/s1
InChI Key:
KGMWXVAUXAJKIV-RNFRBKRXSA-N
SMILES:
C[C@@H]1CCCC[C@H]1C(=O)Cl
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
160.065g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.641g/mol
Monoisotopic Mass:
160.065g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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