Home Bromides 7697-26-9
7697-26-9,MFCD00002488
Catalog No.:AA003IZI
7697-26-9 | 3-Bromo-4-methylbenzoic acid
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Purity
Availability
Price(USD)
Quantity
  
5g
98%
in stock  
$15.00   $10.00
- +
25g
98%
in stock  
$18.00   $12.00
- +
  • Technical Information
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  • Literature
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  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003IZI
Chemical Name:
3-Bromo-4-methylbenzoic acid
CAS Number:
7697-26-9
Molecular Formula:
C8H7BrO2
Molecular Weight:
215.0440
MDL Number:
MFCD00002488
IUPAC Name:
3-bromo-4-methylbenzoic acid
InChI:
InChI=1S/C8H7BrO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H,10,11)
InChI Key:
ZFJOMUKPDWNRFI-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)Br)C
EC Number:
231-712-1
NSC Number:
243715
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-4-methylbenzoic acid 
7697-26-9 
EINECS 231-712-1 
NSC243715 
PubChem3806 
bromo-para-toluic acid 
AC1Q2LRW 
AC1Q2D3D 
3-bromo4-methylbenzoic acid 
ACMC-1BG95 
AKOS BBB/219 
KSC380K6D 
3-Bromo-4-methylbenzoicacid 
SCHEMBL154862 
3-Bromo-4-methyl benzoic acid 
AC1L32T7 
ARONIS000494 
Benzoicacid, 3-bromo-4-methyl- 
CTK2I0561 
ZINC38386 
DTXSID60227751 
3-bromanyl-4-methyl-benzoic acid 
ATTERCOP-CHM AT112203 
3-Bromo-p-toluic Acid 
OTAVA-BB 1909541 
ACN-S004296 
ACT07916 
BCP24534 
KS-00000CO4 
KS-00003U6E 
STR05274 
ANW-36926 
SBB064706 
STK053805 
Benzoic acid, 3-bromo-4-methyl- 
AKOS000319488 
AC-7748 
AN-8687 
AS02482 
CB-2315 
CM12535 
CS-W007779 
LS10330 
MCULE-1574536609 
NSC-243715 
3-Bromo-4-Methyl-Benzoic Acid 
RP04944 
RP26859 
RTC-067193 
TRA0019496 
AJ-08781 
AK-36339 
BC002611 
BC203701 
BR-36339 
SC-06718 
ZFJOMUKPDWNRFI-UHFFFAOYSA-N 
ST054414 
AB0019734 
DB-022353 
ST2417532 
TC-067193 
A9753 
AM20060119 
B3049 
FT-0615248 
V0201 
MFCD00002488 
B-3842 
697B269 
A840107 
I01-5507 
J-511939 
3-Bromo-4-methylbenzoic acid, technical grade, 85% 
Z57204180 
qvr ce d1 
2-Bromo-p-toluic Acid 
C8H7BrO2 
3-Bromo-4-methylbenzoic acid, 98% 
C8-H7-Br-O2 
CID82130 
AR-1L3009 
ACN-035968 
3-Bromo-4-methylbenzoic acid, 98% 5g 
3-Bromo-4-methylbenzoic acid, 97% - 5G 5g 
813-44-5 
bromo-p-toluic acid 
Literature
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