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123-04-6 | Heptane, 3-(chloromethyl)-
CAS No: 123-04-6 Catalog No: AG000JWQ MDL No:MFCD00018940
Product Description
Catalog Number:
AG000JWQ
Chemical Name:
Heptane, 3-(chloromethyl)-
CAS Number:
123-04-6
Molecular Formula:
C8H17Cl
Molecular Weight:
148.6736
MDL Number:
MFCD00018940
IUPAC Name:
3-(chloromethyl)heptane
InChI:
InChI=1S/C8H17Cl/c1-3-5-6-8(4-2)7-9/h8H,3-7H2,1-2H3
InChI Key:
WLVCBAMXYMWGLJ-UHFFFAOYSA-N
SMILES:
CCCCC(CCl)CC
EC Number:
204-594-4
NSC Number:
8883
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:
148.102g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.674g/mol
Monoisotopic Mass:
148.102g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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