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3377-86-4 | 2-bromohexane
CAS No: 3377-86-4 Catalog No: AG00336K MDL No:MFCD00039183
Product Description
Catalog Number:
AG00336K
Chemical Name:
2-bromohexane
CAS Number:
3377-86-4
Molecular Formula:
C6H13Br
Molecular Weight:
165.0714
MDL Number:
MFCD00039183
IUPAC Name:
2-bromohexane
InChI:
InChI=1S/C6H13Br/c1-3-4-5-6(2)7/h6H,3-5H2,1-2H3
InChI Key:
NEBYCXAKZCQWAW-UHFFFAOYSA-N
SMILES:
CCCCC(Br)C
EC Number:
222-173-3
Properties
Complexity:
35.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.02g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.074g/mol
Monoisotopic Mass:
164.02g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Reproductive toxicology: current and future directions. | Biochemical pharmacology 20011215 |
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