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28968-09-4 | 1H-Indene-1-carboxylic acid, 6-chloro-5-cyclohexyl-2,3-dihydro-, (1S)-
CAS No: 28968-09-4 Catalog No: AG002V1J MDL No:
Product Description
Catalog Number:
AG002V1J
Chemical Name:
1H-Indene-1-carboxylic acid, 6-chloro-5-cyclohexyl-2,3-dihydro-, (1S)-
CAS Number:
28968-09-4
Molecular Formula:
C16H19ClO2
Molecular Weight:
278.7739
IUPAC Name:
(1S)-6-chloro-5-cyclohexyl-2,3-dihydro-1H-indene-1-carboxylic acid
InChI:
InChI=1S/C16H19ClO2/c17-15-9-13-11(6-7-12(13)16(18)19)8-14(15)10-4-2-1-3-5-10/h8-10,12H,1-7H2,(H,18,19)/t12-/m0/s1
InChI Key:
OIRAEJWYWSAQNG-LBPRGKRZSA-N
SMILES:
OC(=O)[C@H]1CCc2c1cc(Cl)c(c2)C1CCCCC1
UNII:
12PU8IR205
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
278.107g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.776g/mol
Monoisotopic Mass:
278.107g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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