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850567-52-1 | 2-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);aniline hydrochloride
CAS No: 850567-52-1 Catalog No: AG004Z7Y MDL No:MFCD06659921
Product Description
Catalog Number:
AG004Z7Y
Chemical Name:
2-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);aniline hydrochloride
CAS Number:
850567-52-1
Molecular Formula:
C13H21BClNO2
Molecular Weight:
269.5753
MDL Number:
MFCD06659921
IUPAC Name:
2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;hydrochloride
InChI:
InChI=1S/C13H20BNO2.ClH/c1-9-6-7-10(8-11(9)15)14-16-12(2,3)13(4,5)17-14;/h6-8H,15H2,1-5H3;1H
InChI Key:
YZVBFDWPOULPGM-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1N)B1OC(C(O1)(C)C)(C)C.Cl
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.135g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
269.576g/mol
Monoisotopic Mass:
269.135g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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