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1001-89-4 | Heptane, 2-chloro-
CAS No: 1001-89-4 Catalog No: AG0000XU MDL No:MFCD00039353
Product Description
Catalog Number:
AG0000XU
Chemical Name:
Heptane, 2-chloro-
CAS Number:
1001-89-4
Molecular Formula:
C7H15Cl
Molecular Weight:
134.6470
MDL Number:
MFCD00039353
IUPAC Name:
2-chloroheptane
InChI:
InChI=1S/C7H15Cl/c1-3-4-5-6-7(2)8/h7H,3-6H2,1-2H3
InChI Key:
PTSLUOSUHFGQHV-UHFFFAOYSA-N
SMILES:
CCCCCC(Cl)C
EC Number:
213-683-7
Properties
Complexity:
43.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.086g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
134.647g/mol
Monoisotopic Mass:
134.086g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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