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99747-75-8 | 1-BROMO-2-METHYLCYCLOHEXENE
CAS No: 99747-75-8 Catalog No: AG003X18 MDL No:
Product Description
Catalog Number:
AG003X18
Chemical Name:
1-BROMO-2-METHYLCYCLOHEXENE
CAS Number:
99747-75-8
Molecular Formula:
C7H11Br
Molecular Weight:
175.0662
IUPAC Name:
1-bromo-2-methylcyclohexene
InChI:
InChI=1S/C7H11Br/c1-6-4-2-3-5-7(6)8/h2-5H2,1H3
InChI Key:
LSRPYSHPZPISHF-UHFFFAOYSA-N
SMILES:
CC1=C(Br)CCCC1
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.004g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.069g/mol
Monoisotopic Mass:
174.004g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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