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162320-65-2 | 1,2,4,5-Tetrazine, 3-(2-bromophenyl)-6-(2,6-difluorophenyl)-
CAS No: 162320-65-2 Catalog No: AG001T0F MDL No:
Product Description
Catalog Number:
AG001T0F
Chemical Name:
1,2,4,5-Tetrazine, 3-(2-bromophenyl)-6-(2,6-difluorophenyl)-
CAS Number:
162320-65-2
Molecular Formula:
C14H7BrF2N4
Molecular Weight:
349.1330
IUPAC Name:
3-(2-bromophenyl)-6-(2,6-difluorophenyl)-1,2,4,5-tetrazine
InChI:
InChI=1S/C14H7BrF2N4/c15-9-5-2-1-4-8(9)13-18-20-14(21-19-13)12-10(16)6-3-7-11(12)17/h1-7H
InChI Key:
KHAZAQVGODYYJZ-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1c1nnc(nn1)c1ccccc1Br)F
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.982g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
349.139g/mol
Monoisotopic Mass:
347.982g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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