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141365-06-2 | 6-Heptene-2,5-diol, 2-(3-bromo-4-chloro-4-methylcyclohexyl)-6-methyl-
CAS No: 141365-06-2 Catalog No: AG001GB3 MDL No:
Product Description
Catalog Number:
AG001GB3
Chemical Name:
6-Heptene-2,5-diol, 2-(3-bromo-4-chloro-4-methylcyclohexyl)-6-methyl-
CAS Number:
141365-06-2
Molecular Formula:
C15H26BrClO2
Molecular Weight:
353.7227
IUPAC Name:
2-(3-bromo-4-chloro-4-methylcyclohexyl)-6-methylhept-6-ene-2,5-diol
InChI:
InChI=1S/C15H26BrClO2/c1-10(2)12(18)6-8-15(4,19)11-5-7-14(3,17)13(16)9-11/h11-13,18-19H,1,5-9H2,2-4H3
InChI Key:
WVROWGFVAXSAAR-UHFFFAOYSA-N
SMILES:
CC(=C)C(CCC(C1CCC(C(C1)Br)(C)Cl)(O)C)O
Properties
Complexity:
336
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:
5
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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