Home Bromides 58530-13-5
58530-13-5,MFCD02684926
Catalog No.:AA003J0D
58530-13-5 | 3-Bromo-5-methylbenzoic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$11.00   $8.00
- +
5g
98%
in stock  
$29.00   $20.00
- +
100g
98%
in stock  
$500.00   $350.00
  • Technical Information
  • Properties
  • Literature
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  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003J0D
Chemical Name:
3-Bromo-5-methylbenzoic acid
CAS Number:
58530-13-5
Molecular Formula:
C8H7BrO2
Molecular Weight:
215.0440
MDL Number:
MFCD02684926
IUPAC Name:
3-bromo-5-methylbenzoic acid
InChI:
InChI=1S/C8H7BrO2/c1-5-2-6(8(10)11)4-7(9)3-5/h2-4H,1H3,(H,10,11)
InChI Key:
NWOMVQDBDBUANF-UHFFFAOYSA-N
SMILES:
Cc1cc(Br)cc(c1)C(=O)O
Properties
Computed Properties
 
Complexity:
158  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.963g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
215.046g/mol
Monoisotopic Mass:
213.963g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

Synonyms
 
3-bromo-5-methylbenzoic acid 
58530-13-5 
3-Brom-5-methyl-benzoesaeure; 
5-bromo-3-methylbenzoic acid; 
3-bromo-5-methyl-benzoic acid; 
CTK3J7775 
DTXSID00392432 
NWOMVQDBDBUANF-UHFFFAOYSA-N 
ZINC390867 
ACT11806 
BCP24558 
KS-00000D9K 
3-Bromo-5-methylbenzoicAcid 
ANW-49617 
CL8076 
EBD540788 
MFCD02684926 
AKOS015919994 
AB12648 
CS-W014908 
GS-4081 
MCULE-1750211936 
RP26866 
3-bromo-5-methyl-benzoic Acid 
TRA0081381 
AJ-21008 
AK-35753 
BR-35753 
SC-35268 
SY018398 
AB0006913 
DB-072492 
RT-003998 
ST2410550 
5-bromo-3-methylbenzoic acid 
AM20060680 
FT-0761034 
W7159 
S-3923 
MFCD02684926 (97+%) 
J-512036 
Z1741968871 
C8H7BrO2 
CID3433127 
Benzoic acid, 3-bromo-5-methyl- 
5-Brom-m-toluylsaeure; 
AC1MPCL8 
KSC497O7L 
SCHEMBL696914 
Literature
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