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20434-22-4 | 3-Hexanone, 6-bromo-
CAS No: 20434-22-4 Catalog No: AG0029GA MDL No:MFCD20621909
Product Description
Catalog Number:
AG0029GA
Chemical Name:
3-Hexanone, 6-bromo-
CAS Number:
20434-22-4
Molecular Formula:
C6H11BrO
Molecular Weight:
179.0549
MDL Number:
MFCD20621909
IUPAC Name:
6-bromohexan-3-one
InChI:
InChI=1S/C6H11BrO/c1-2-6(8)4-3-5-7/h2-5H2,1H3
InChI Key:
IKRZHUJVIDUZQY-UHFFFAOYSA-N
SMILES:
BrCCCC(=O)CC
Properties
Complexity:
70.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.999g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.057g/mol
Monoisotopic Mass:
177.999g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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