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Home > Boronic Acids > 1215007-07-0
1215007-07-0 | 7-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-1-one
CAS No: 1215007-07-0 Catalog No: AG00HG9M MDL No:MFCD18383839
Product Description
Catalog Number:
AG00HG9M
Chemical Name:
7-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-1-one
CAS Number:
1215007-07-0
Molecular Formula:
C16H22BNO3
Molecular Weight:
287.1618
MDL Number:
MFCD18383839
IUPAC Name:
7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3,4,5-tetrahydro-2-benzazepin-1-one
InChI:
InChI=1S/C16H22BNO3/c1-15(2)16(3,4)21-17(20-15)12-7-8-13-11(10-12)6-5-9-18-14(13)19/h7-8,10H,5-6,9H2,1-4H3,(H,18,19)
InChI Key:
SIUFXRVVZSWOTQ-UHFFFAOYSA-N
SMILES:
O=C1NCCCc2c1ccc(c2)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.169g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.166g/mol
Monoisotopic Mass:
287.169g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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