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927384-43-8 | 2-(3-Bromophenyl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborine , 98%
CAS No: 927384-43-8 Catalog No: AG003ETA MDL No:MFCD16038145
Product Description
Catalog Number:
AG003ETA
Chemical Name:
2-(3-Bromophenyl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborine , 98%
CAS Number:
927384-43-8
Molecular Formula:
C16H12BBrN2
Molecular Weight:
322.9949
MDL Number:
MFCD16038145
IUPAC Name:
3-(3-bromophenyl)-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene
InChI:
InChI=1S/C16H12BBrN2/c18-13-7-3-6-12(10-13)17-19-14-8-1-4-11-5-2-9-15(20-17)16(11)14/h1-10,19-20H
InChI Key:
RDGOAMRKYXEHHS-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)B1Nc2cccc3c2c(N1)ccc3
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.028g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
323g/mol
Monoisotopic Mass:
322.028g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
24.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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