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Home > Boronic Acids > 1228829-54-6
1228829-54-6 | Boronic acid, B-(2-methyl-4-nitrophenyl)-
CAS No: 1228829-54-6 Catalog No: AG000JOB MDL No:MFCD18383626
Product Description
Catalog Number:
AG000JOB
Chemical Name:
Boronic acid, B-(2-methyl-4-nitrophenyl)-
CAS Number:
1228829-54-6
Molecular Formula:
C7H8BNO4
Molecular Weight:
180.9537
MDL Number:
MFCD18383626
IUPAC Name:
(2-methyl-4-nitrophenyl)boronic acid
InChI:
InChI=1S/C7H8BNO4/c1-5-4-6(9(12)13)2-3-7(5)8(10)11/h2-4,10-11H,1H3
InChI Key:
MTRNMFMWHXCMFQ-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1C)[N+](=O)[O-])O
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
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