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Home > Fluorides > 177545-13-0
177545-13-0 | 1H-1,4-Diazepine, 2,3-dihydro-5-(trifluoromethyl)-
CAS No: 177545-13-0 Catalog No: AG0025DZ MDL No:MFCD02186431
Product Description
Catalog Number:
AG0025DZ
Chemical Name:
1H-1,4-Diazepine, 2,3-dihydro-5-(trifluoromethyl)-
CAS Number:
177545-13-0
Molecular Formula:
C6H7F3N2
Molecular Weight:
164.1284
MDL Number:
MFCD02186431
IUPAC Name:
7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine
InChI:
InChI=1S/C6H7F3N2/c7-6(8,9)5-1-2-10-3-4-11-5/h1-2,11H,3-4H2
InChI Key:
BTSAQDCLUZDSOR-UHFFFAOYSA-N
SMILES:
FC(C1=NCCNC=C1)(F)F
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.056g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
164.131g/mol
Monoisotopic Mass:
164.056g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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