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132775-20-3 | 1,7-Heptanediol, 2,4,4,6-tetrachloro-, 1,7-diacetate
CAS No: 132775-20-3 Catalog No: AG00114X MDL No:
Product Description
Catalog Number:
AG00114X
Chemical Name:
1,7-Heptanediol, 2,4,4,6-tetrachloro-, 1,7-diacetate
CAS Number:
132775-20-3
Molecular Formula:
C11H16Cl4O4
Molecular Weight:
354.0543
IUPAC Name:
acetic acid;2,4,4,6-tetrachloroheptane-1,7-diol
InChI:
InChI=1S/C7H12Cl4O2.2C2H4O2/c8-5(3-12)1-7(10,11)2-6(9)4-13;2*1-2(3)4/h5-6,12-13H,1-4H2;2*1H3,(H,3,4)
InChI Key:
UPQDLVPDMXLJBV-UHFFFAOYSA-N
SMILES:
ClC(CC(CC(COC(=O)C)Cl)(Cl)Cl)COC(=O)C
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
389.998g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
390.075g/mol
Monoisotopic Mass:
388.001g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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