Home Halogens 3-bromo-4,4-dimethylpentan-2-one

3-bromo-4,4-dimethylpentan-2-one

CAS No.:
4957-78-2
Catalog Number:
AG01BA9P
Molecular Formula:
C7H13BrO
Molecular Weight:
193.0815
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Product Description
Catalog Number:
AG01BA9P
Chemical Name:
3-bromo-4,4-dimethylpentan-2-one
CAS Number:
4957-78-2
Molecular Formula:
C7H13BrO
Molecular Weight:
193.0815
MDL Number:
MFCD20621650
IUPAC Name:
3-bromo-4,4-dimethylpentan-2-one
InChI:
InChI=1S/C7H13BrO/c1-5(9)6(8)7(2,3)4/h6H,1-4H3
InChI Key:
PGEGEGKDYBOBRQ-UHFFFAOYSA-N
SMILES:
CC(=O)C(C(C)(C)C)Br
Properties
Complexity:
113  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.015g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.084g/mol
Monoisotopic Mass:
192.015g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties