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13049-21-3

13049-21-3 | Heptane, 2,4,6-trichloro-

CAS No: 13049-21-3 Catalog No: AG000UHV MDL No:MFCD24476684

Product Description

Catalog Number:
AG000UHV
Chemical Name:
Heptane, 2,4,6-trichloro-
CAS Number:
13049-21-3
Molecular Formula:
C7H13Cl3
Molecular Weight:
203.5371
MDL Number:
MFCD24476684
IUPAC Name:
2,4,6-trichloroheptane
InChI:
InChI=1S/C7H13Cl3/c1-5(8)3-7(10)4-6(2)9/h5-7H,3-4H2,1-2H3
InChI Key:
ZIELQSWVHXTKFD-UHFFFAOYSA-N
SMILES:
ClC(CC(Cl)C)CC(Cl)C

Properties

Complexity:
74.9  
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:
4  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  

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