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101654-29-9 | Heptane, 4-(bromomethyl)-
CAS No: 101654-29-9 Catalog No: AG00053M MDL No:MFCD02262152
Product Description
Catalog Number:
AG00053M
Chemical Name:
Heptane, 4-(bromomethyl)-
CAS Number:
101654-29-9
Molecular Formula:
C8H17Br
Molecular Weight:
193.1246
MDL Number:
MFCD02262152
IUPAC Name:
4-(bromomethyl)heptane
InChI:
InChI=1S/C8H17Br/c1-3-5-8(7-9)6-4-2/h8H,3-7H2,1-2H3
InChI Key:
ZVWCWXUOSBDXEQ-UHFFFAOYSA-N
SMILES:
CCCC(CCC)CBr
Properties
Complexity:
46.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.051g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.128g/mol
Monoisotopic Mass:
192.051g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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