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Home > Boronic Acids > 1072945-60-8
1072945-60-8 | 2-Methyl-3-nitrophenylboronic acid
CAS No: 1072945-60-8 Catalog No: AG00HAYU MDL No:MFCD06201025
Product Description
Catalog Number:
AG00HAYU
Chemical Name:
2-Methyl-3-nitrophenylboronic acid
CAS Number:
1072945-60-8
Molecular Formula:
C7H8BNO4
Molecular Weight:
180.9537
MDL Number:
MFCD06201025
IUPAC Name:
(2-methyl-3-nitrophenyl)boronic acid
InChI:
InChI=1S/C7H8BNO4/c1-5-6(8(10)11)3-2-4-7(5)9(12)13/h2-4,10-11H,1H3
InChI Key:
OZOLRGZAVBQRBG-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1C)[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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