200,000+ products from a single source!
sales@angenechem.com
Home > Boronic Acids > 80500-27-2
80500-27-2 | (4-Methyl-3-nitrophenyl)boronic acid
CAS No: 80500-27-2 Catalog No: AG008MG1 MDL No:MFCD00191550
Product Description
Catalog Number:
AG008MG1
Chemical Name:
(4-Methyl-3-nitrophenyl)boronic acid
CAS Number:
80500-27-2
Molecular Formula:
C7H8BNO4
Molecular Weight:
180.9537
MDL Number:
MFCD00191550
IUPAC Name:
(4-methyl-3-nitrophenyl)boronic acid
InChI:
InChI=1S/C7H8BNO4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4,10-11H,1H3
InChI Key:
OASVXBRTNVFKFS-UHFFFAOYSA-N
SMILES:
OB(c1ccc(c(c1)[N+](=O)[O-])C)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
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.