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2044-08-8 | Cyclohexene, 1-bromo-
CAS No: 2044-08-8 Catalog No: AG0029HO MDL No:MFCD09878413
Product Description
Catalog Number:
AG0029HO
Chemical Name:
Cyclohexene, 1-bromo-
CAS Number:
2044-08-8
Molecular Formula:
C6H9Br
Molecular Weight:
161.0397
MDL Number:
MFCD09878413
IUPAC Name:
1-bromocyclohexene
InChI:
InChI=1S/C6H9Br/c7-6-4-2-1-3-5-6/h4H,1-3,5H2
InChI Key:
QBUMXSSCYUMVAW-UHFFFAOYSA-N
SMILES:
BrC1=CCCCC1
Properties
Complexity:
84.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.989g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.042g/mol
Monoisotopic Mass:
159.989g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Regioselective Pd-catalyzed synthesis and application of 3-methyl-5-bromo-2-pyrone toward keto-phomactin A. | Organic letters 20060720 |
| Reactions of cyclohexenyl iodonium tetrafluoroborate with bromide ion: retardation due to the formation of lambda3-bromoiodane. | The Journal of organic chemistry 20060217 |
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