Home Bromides 40180-80-1
40180-80-1,MFCD02683854
Catalog No.:AA003IPM
40180-80-1 | 1-(3-Bromo-4-methylphenyl)ethanone
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$7.00   $5.00
- +
5g
98%
in stock  
$28.00   $20.00
- +
10g
98%
in stock  
$53.00   $37.00
- +
25g
98%
in stock  
$115.00   $80.00
- +
100g
98%
in stock  
$300.00   $210.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003IPM
Chemical Name:
1-(3-Bromo-4-methylphenyl)ethanone
CAS Number:
40180-80-1
Molecular Formula:
C9H9BrO
Molecular Weight:
213.0712
MDL Number:
MFCD02683854
IUPAC Name:
1-(3-bromo-4-methylphenyl)ethanone
InChI:
InChI=1S/C9H9BrO/c1-6-3-4-8(7(2)11)5-9(6)10/h3-5H,1-2H3
InChI Key:
PDJLFESXPVLVMR-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(c(c1)Br)C
Properties
Computed Properties
 
Complexity:
156  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.984g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.074g/mol
Monoisotopic Mass:
211.984g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

Synonyms
 
3'-Bromo-4'-methylacetophenone 
40180-80-1 
CTK4I2615 
DTXSID90391313 
ZLD0278 
OTAVA-BB 1499626 
PDJLFESXPVLVMR-UHFFFAOYSA-N 
ACT06223 
BCP21854 
ZINC2583727 
MFCD02683854 
AKOS015913125 
1-(3-bromo-4-methylphenyl)ethanone 
AS03823 
VZ25301 
3'-Bromo-4'-methylacetophenone, 97% 
Ethanone,1-(3-bromo-4-methylphenyl)- 
1-(3-bromanyl-4-methyl-phenyl)ethanone 
1-(3-bromo-4-methylphenyl)ethan-1-one 
AJ-43270 
AM807462 
AS-40385 
AB0020856 
3-Bromo-4-methylacetophenone 
DB-022351 
ST2414978 
FT-0639618 
V1878 
A824960 
J-200052 
I14-46275 
3 inverted exclamation marka-Bromo-4 inverted exclamation marka-methylacetophenone 
C9H9BrO 
3/'-Bromo-4/'-methylacetophenone 
Ethanone, 1-(3-bromo-4-methylphenyl)- 
1-(3-bromo-4-methyl-phenyl)ethanone 
CID3309401 
B4758 
1-(3-BROMO-4-METHYL-PHENYL)-ETHANONE 
1-(3-BROMO-4-METHYLPHENYL)-1-ETHANONE 
zlchem 817 
AC1MNT9C 
SCHEMBL407154 
Literature
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