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1000339-10-5 | 2-Methoxy-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)aniline
CAS No: 1000339-10-5 Catalog No: AG00954W MDL No:MFCD16996341
Product Description
Catalog Number:
AG00954W
Chemical Name:
2-Methoxy-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)aniline
CAS Number:
1000339-10-5
Molecular Formula:
C13H20BNO3
Molecular Weight:
249.1138
MDL Number:
MFCD16996341
IUPAC Name:
2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
InChI:
InChI=1S/C13H20BNO3/c1-12(2)13(3,4)18-14(17-12)9-6-7-11(16-5)10(15)8-9/h6-8H,15H2,1-5H3
InChI Key:
SCONHACZFQZWPB-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1N)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.154g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.117g/mol
Monoisotopic Mass:
249.154g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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