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927384-44-9

927384-44-9 | 2-(4-Bromophenyl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborine , 98%

CAS No: 927384-44-9 Catalog No: AG003EV6 MDL No:MFCD16038141

Product Description

Catalog Number:
AG003EV6
Chemical Name:
2-(4-Bromophenyl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborine , 98%
CAS Number:
927384-44-9
Molecular Formula:
C16H12BBrN2
Molecular Weight:
322.9949
MDL Number:
MFCD16038141
IUPAC Name:
3-(4-bromophenyl)-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene
InChI:
InChI=1S/C16H12BBrN2/c18-13-9-7-12(8-10-13)17-19-14-5-1-3-11-4-2-6-15(20-17)16(11)14/h1-10,19-20H
InChI Key:
NKGYQJVDGSWXFR-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)B1Nc2cccc3c2c(N1)ccc3

Properties

Complexity:
325  
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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