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Home > Boronic Acids > 143697-03-4
143697-03-4 | Boronic acid, B-(4-methyl-2-nitrophenyl)-
CAS No: 143697-03-4 Catalog No: AG001I74 MDL No:MFCD06659821
Product Description
Catalog Number:
AG001I74
Chemical Name:
Boronic acid, B-(4-methyl-2-nitrophenyl)-
CAS Number:
143697-03-4
Molecular Formula:
C7H8BNO4
Molecular Weight:
180.9537
MDL Number:
MFCD06659821
IUPAC Name:
(4-methyl-2-nitrophenyl)boronic acid
InChI:
InChI=1S/C7H8BNO4/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4,10-11H,1H3
InChI Key:
AYHIVXNOPOXRIZ-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)[N+](=O)[O-])B(O)O
NSC Number:
525354
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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