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Home > Boronic Acids > 755026-96-1
755026-96-1 | 2-(3-Methoxy-4-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CAS No: 755026-96-1 Catalog No: AG00G7JE MDL No:MFCD13192152
Product Description
Catalog Number:
AG00G7JE
Chemical Name:
2-(3-Methoxy-4-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CAS Number:
755026-96-1
Molecular Formula:
C13H18BNO5
Molecular Weight:
279.0967
MDL Number:
MFCD13192152
IUPAC Name:
2-(3-methoxy-4-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C13H18BNO5/c1-12(2)13(3,4)20-14(19-12)9-6-7-10(15(16)17)11(8-9)18-5/h6-8H,1-5H3
InChI Key:
BWLMLFOPBJWHOQ-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1[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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