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554411-20-0 | 2-(4-Methoxy-3-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CAS No: 554411-20-0 Catalog No: AG0037NV MDL No:MFCD06795663
Product Description
Catalog Number:
AG0037NV
Chemical Name:
2-(4-Methoxy-3-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CAS Number:
554411-20-0
Molecular Formula:
C13H18BNO5
Molecular Weight:
279.0967
MDL Number:
MFCD06795663
IUPAC Name:
2-(4-methoxy-3-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C13H18BNO5/c1-12(2)13(3,4)20-14(19-12)9-6-7-11(18-5)10(8-9)15(16)17/h6-8H,1-5H3
InChI Key:
RHBKXETXNLZMEX-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1[N+](=O)[O-])B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.128g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.099g/mol
Monoisotopic Mass:
279.128g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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