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123347-40-0 | Cyclohexene, 2-bromo-1,3,3-trimethyl-
CAS No: 123347-40-0 Catalog No: AG000KEZ MDL No:
Product Description
Catalog Number:
AG000KEZ
Chemical Name:
Cyclohexene, 2-bromo-1,3,3-trimethyl-
CAS Number:
123347-40-0
Molecular Formula:
C9H15Br
Molecular Weight:
203.1194
IUPAC Name:
5-bromo-3,3,5-trimethylcyclohexene
InChI:
InChI=1S/C9H15Br/c1-8(2)5-4-6-9(3,10)7-8/h4-5H,6-7H2,1-3H3
InChI Key:
AVSCIHUXHRSRPF-UHFFFAOYSA-N
SMILES:
CC1=C(Br)C(CCC1)(C)C
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.036g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.123g/mol
Monoisotopic Mass:
202.036g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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