Home Bromides 56961-27-4
56961-27-4,MFCD01569399
Catalog No.:AA003IXF
56961-27-4 | 3-Bromo-2-chlorobenzoic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$26.00   $18.00
- +
5g
97%
in stock  
$72.00   $50.00
- +
10g
97%
in stock  
$122.00   $85.00
- +
25g
95%
in stock  
$226.00   $158.00
- +
100g
97%
in stock  
$707.00   $495.00
  • Technical Information
  • Properties
  • Literature
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  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003IXF
Chemical Name:
3-Bromo-2-chlorobenzoic acid
CAS Number:
56961-27-4
Molecular Formula:
C7H4BrClO2
Molecular Weight:
235.4625
MDL Number:
MFCD01569399
IUPAC Name:
3-bromo-2-chlorobenzoic acid
InChI:
InChI=1S/C7H4BrClO2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,(H,10,11)
InChI Key:
LNURMIDMOXCNEH-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1Cl)Br
Properties
Computed Properties
 
Complexity:
163  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.908g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
235.461g/mol
Monoisotopic Mass:
233.908g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

Synonyms
 
3-bromo-2-chlorobenzoic acid 
56961-27-4 
ACT07339 
ZINC2013308 
3-bromanyl-2-chloranyl-benzoic acid 
ANW-49591 
CL8067 
MFCD01569399 
AKOS015889368 
AS03130 
CC-1597 
CS-W005002 
2-Chloro-3-bromobenzoic acid 
MCULE-7955450364 
SS-4589 
TRA0000142 
AC-28708 
AJ-32543 
AK-41763 
BC005247 
BR-41763 
SC-36774 
SY024817 
KSC494A9R 
AB0033966 
RT-001861 
4CH-000827 
FT-0658984 
ST24028424 
X8043 
KS-00000207 
S-3950 
MFCD01569399 (95+%) 
A831259 
SCHEMBL156051 
I01-1831 
Z1741972565 
C7H4BrClO2 
3-Bromo-2-chlorobenzoicacid 
3-bromo-2-chloro-benzoic Acid 
Benzoic acid, 3-bromo-2-chloro- 
CID33124 
Benzoic acid,bromochloro- (8CI,9CI) 
ACN-052123 
25638-14-6 
AC1L1P05 
CTK3J4098 
DTXSID80275017 
BUTTPARK 22\01-99 
LNURMIDMOXCNEH-UHFFFAOYSA-N 
Literature
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