200,000+ products from a single source!
sales@angenechem.com
Home > Boronic Acids > 1402238-34-9
1402238-34-9 | Benzoic acid, 2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
CAS No: 1402238-34-9 Catalog No: AG001C64 MDL No:MFCD16996357
Product Description
Catalog Number:
AG001C64
Chemical Name:
Benzoic acid, 2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
CAS Number:
1402238-34-9
Molecular Formula:
C14H18BNO6
Molecular Weight:
307.1068
MDL Number:
MFCD16996357
IUPAC Name:
methyl 2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
InChI:
InChI=1S/C14H18BNO6/c1-13(2)14(3,4)22-15(21-13)9-6-7-10(12(17)20-5)11(8-9)16(18)19/h6-8H,1-5H3
InChI Key:
YXJOPYXGQATVOC-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1[N+](=O)[O-])B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.123g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.109g/mol
Monoisotopic Mass:
307.123g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
© 2019 Angene International Limited. All rights Reserved.