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762-22-1 | Heptane, 1,4,7-trichloro-
CAS No: 762-22-1 Catalog No: AG005778 MDL No:
Product Description
Catalog Number:
AG005778
Chemical Name:
Heptane, 1,4,7-trichloro-
CAS Number:
762-22-1
Molecular Formula:
C7H13Cl3
Molecular Weight:
203.5371
IUPAC Name:
1,4,7-trichloroheptane
InChI:
InChI=1S/C7H13Cl3/c8-5-1-3-7(10)4-2-6-9/h7H,1-6H2
InChI Key:
PVQCMONQYCNAAI-UHFFFAOYSA-N
SMILES:
ClCCCC(CCCCl)Cl
Properties
Complexity:
57.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.008g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.531g/mol
Monoisotopic Mass:
202.008g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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