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189756-39-6 | 1H-1,4-Diazepine, 7-(4-bromophenyl)-2,3-dihydro-5-(trifluoromethyl)-
CAS No: 189756-39-6 Catalog No: AG002DXT MDL No:
Product Description
Catalog Number:
AG002DXT
Chemical Name:
1H-1,4-Diazepine, 7-(4-bromophenyl)-2,3-dihydro-5-(trifluoromethyl)-
CAS Number:
189756-39-6
Molecular Formula:
C12H10BrF3N2
Molecular Weight:
319.1204
IUPAC Name:
5-(4-bromophenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine
InChI:
InChI=1S/C12H10BrF3N2/c13-9-3-1-8(2-4-9)10-7-11(12(14,15)16)18-6-5-17-10/h1-4,7,18H,5-6H2
InChI Key:
VHYCMJJCSBOKKQ-UHFFFAOYSA-N
SMILES:
FC(C1=NCCNC(=C1)c1ccc(cc1)Br)(F)F
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.998g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.125g/mol
Monoisotopic Mass:
317.998g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
24.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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