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Home > Boronic Acids > 913836-26-7
913836-26-7 | 4-CHLORO-3-NITROBENZENEBORONIC ACID, PINACOL ESTER 98
CAS No: 913836-26-7 Catalog No: AG00GSYO MDL No:MFCD08235086
Product Description
Catalog Number:
AG00GSYO
Chemical Name:
4-CHLORO-3-NITROBENZENEBORONIC ACID, PINACOL ESTER 98
CAS Number:
913836-26-7
Molecular Formula:
C12H15BClNO4
Molecular Weight:
283.5158
MDL Number:
MFCD08235086
IUPAC Name:
2-(4-chloro-3-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C12H15BClNO4/c1-11(2)12(3,4)19-13(18-11)8-5-6-9(14)10(7-8)15(16)17/h5-7H,1-4H3
InChI Key:
VEIRGLFECZUCTI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1Cl)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.078g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.515g/mol
Monoisotopic Mass:
283.078g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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