Home Boronic Acids 100960-11-0
100960-11-0,MFCD00757435
Catalog No.:AA00038U
100960-11-0 | 2-Methyl-5-nitrophenylboronic acid
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1g
98%
in stock  
$215.00   $150.00
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5g
98%
in stock  
$762.00   $534.00
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25g
98%
in stock  
$2,858.00   $2,000.00
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Technical Information
Catalog Number:
AA00038U
Chemical Name:
2-Methyl-5-nitrophenylboronic acid
CAS Number:
100960-11-0
Molecular Formula:
C7H8BNO4
Molecular Weight:
180.9537
MDL Number:
MFCD00757435
IUPAC Name:
(2-methyl-5-nitrophenyl)boronic acid
InChI:
InChI=1S/C7H8BNO4/c1-5-2-3-6(9(12)13)4-7(5)8(10)11/h2-4,10-11H,1H3
InChI Key:
HRJFQIRIDFXMNX-UHFFFAOYSA-N
SMILES:
OB(c1cc(ccc1C)[N+](=O)[O-])O
Properties
Computed Properties
 
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.055g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
180.954g/mol
Monoisotopic Mass:
181.055g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
2-Methyl-5-nitrophenylboronic acid 
100960-11-0 
ACMC-2097th 
AC1Q2EC5 
3-Borono-4-methylnitrobenzene 
SCHEMBL3089043 
CTK3J9393 
DTXSID80378512 
HRJFQIRIDFXMNX-UHFFFAOYSA-N 
ZX-AT017841 
2-methyl-5-nitrophenyl-boronic acid 
2-Dimethyl-3-nitrophenylboronic acid 
(2-methyl-5-nitrophenyl)boronic acid 
ANW-14403 
CM-910 
FCH918613 
SBB065878 
AKOS006229216 
ZINC169745665 
AB07036 
BOR0001068 
LS10987 
M4432G1 
2-Methyl-5-nitrobenzeneboronic acid 
OR10548 
RP24200 
RTR-000279 
VB10344 
BC001952 
boronic acid, (2-methyl-5-nitrophenyl)- 
CC-00406 
N908 
SC-24998 
(2-METHYL-5-NITROPHENYL)BORONICACID 
MFCD00757435 
2 - Methyl - 5 - nitrophenylboronic acid 
AB1006741 
AX8004913 
DB-005501 
TR-000279 
4CH-001214 
FT-0612984 
ST24040863 
A-4096 
A19518 
(2-methyl-5-nitrophenyl)boranediol 
C-06776 
I04-0705 
J-510009 
null 
C7H8BNO4 
2-Methyl-3-nitrophenylboronic acid 
3-(Morpholinomethyl)benzaldehyde 
(2-methyl-5-nitro-phenyl)boronic Acid 
ACN-041688 
CID2773513 
Boronic acid,B-(2-methyl-5-nitrophenyl)- 
5-NITRO-2-METHYL-PHENYLBORONIC ACID 
AC1MCN2G 
2-Borono-4-nitrotoluene 
Literature
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