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141365-05-1 | 3-Heptene-2,6-diol, 6-(4-bromo-3-chloro-4-methylcyclohexyl)-2-methyl-
CAS No: 141365-05-1 Catalog No: AG001GB4 MDL No:
Product Description
Catalog Number:
AG001GB4
Chemical Name:
3-Heptene-2,6-diol, 6-(4-bromo-3-chloro-4-methylcyclohexyl)-2-methyl-
CAS Number:
141365-05-1
Molecular Formula:
C15H26BrClO2
Molecular Weight:
353.7227
IUPAC Name:
6-(4-bromo-3-chloro-4-methylcyclohexyl)-2-methylhept-3-ene-2,6-diol
InChI:
InChI=1S/C15H26BrClO2/c1-13(2,18)7-5-8-15(4,19)11-6-9-14(3,16)12(17)10-11/h5,7,11-12,18-19H,6,8-10H2,1-4H3
InChI Key:
FEQAISWHFUFFRA-UHFFFAOYSA-N
SMILES:
ClC1CC(CCC1(C)Br)C(CC=CC(O)(C)C)(O)C
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.08g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
353.725g/mol
Monoisotopic Mass:
352.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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