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Home > Boronic Acids > 377780-80-8
377780-80-8 | (3-CARBOXY-5-NITROPHENYL)BORONIC ACID, PINACOL ESTER
CAS No: 377780-80-8 Catalog No: AG00BXI4 MDL No:MFCD03411932
Product Description
Catalog Number:
AG00BXI4
Chemical Name:
(3-CARBOXY-5-NITROPHENYL)BORONIC ACID, PINACOL ESTER
CAS Number:
377780-80-8
Molecular Formula:
C13H16BNO6
Molecular Weight:
293.0802
MDL Number:
MFCD03411932
IUPAC Name:
3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
InChI:
InChI=1S/C13H16BNO6/c1-12(2)13(3,4)21-14(20-12)9-5-8(11(16)17)6-10(7-9)15(18)19/h5-7H,1-4H3,(H,16,17)
InChI Key:
OYMDMSRXMZRHPB-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(cc(c1)[N+](=O)[O-])B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.107g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.082g/mol
Monoisotopic Mass:
293.107g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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