Home Halogens (1E)-1-bromo-2-methylpent-1-en-3-one

(1E)-1-bromo-2-methylpent-1-en-3-one

CAS No.:
871925-69-8
Catalog Number:
AG01EM2N
Molecular Formula:
C6H9BrO
Molecular Weight:
177.0391
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01EM2N
Chemical Name:
(1E)-1-bromo-2-methylpent-1-en-3-one
CAS Number:
871925-69-8
Molecular Formula:
C6H9BrO
Molecular Weight:
177.0391
MDL Number:
MFCD20636604
IUPAC Name:
(E)-1-bromo-2-methylpent-1-en-3-one
InChI:
InChI=1S/C6H9BrO/c1-3-6(8)5(2)4-7/h4H,3H2,1-2H3/b5-4+
InChI Key:
YTCRFGTWHFJPLF-SNAWJCMRSA-N
SMILES:
CCC(=O)/C(=C/Br)/C
Properties
Complexity:
116  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
175.984g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.041g/mol
Monoisotopic Mass:
175.984g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties