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1653-16-3 | Heptane, 3-(iodomethyl)-
CAS No: 1653-16-3 Catalog No: AG001W2O MDL No:MFCD00039407
Product Description
Catalog Number:
AG001W2O
Chemical Name:
Heptane, 3-(iodomethyl)-
CAS Number:
1653-16-3
Molecular Formula:
C8H17I
Molecular Weight:
240.1250
MDL Number:
MFCD00039407
IUPAC Name:
3-(iodomethyl)heptane
InChI:
InChI=1S/C8H17I/c1-3-5-6-8(4-2)7-9/h8H,3-7H2,1-2H3
InChI Key:
WNPGSEJRPYSCDQ-UHFFFAOYSA-N
SMILES:
CCCCC(CI)CC
EC Number:
216-720-5
Properties
Complexity:
52.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.037g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.128g/mol
Monoisotopic Mass:
240.037g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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