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1437051-80-3 | 2,1-Benzoxaborole-6-methanamine, 1,3-dihydro-1-hydroxy-3,3-dimethyl-
CAS No: 1437051-80-3 Catalog No: AG001I8A MDL No:MFCD28129162
Product Description
Catalog Number:
AG001I8A
Chemical Name:
2,1-Benzoxaborole-6-methanamine, 1,3-dihydro-1-hydroxy-3,3-dimethyl-
CAS Number:
1437051-80-3
Molecular Formula:
C10H14BNO2
Molecular Weight:
191.0347
MDL Number:
MFCD28129162
IUPAC Name:
(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)methanamine
InChI:
InChI=1S/C10H14BNO2/c1-10(2)8-4-3-7(6-12)5-9(8)11(13)14-10/h3-5,13H,6,12H2,1-2H3
InChI Key:
GOKXCNGZACOZPV-UHFFFAOYSA-N
SMILES:
NCc1ccc2c(c1)B(O)OC2(C)C
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.112g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
191.037g/mol
Monoisotopic Mass:
191.112g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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