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205485-30-9 | 3H-Diazirine, 3-[4-(bromomethyl)-3-methoxyphenyl]-3-(trifluoromethyl)-
CAS No: 205485-30-9 Catalog No: AG002A3K MDL No:
Product Description
Catalog Number:
AG002A3K
Chemical Name:
3H-Diazirine, 3-[4-(bromomethyl)-3-methoxyphenyl]-3-(trifluoromethyl)-
CAS Number:
205485-30-9
Molecular Formula:
C10H8BrF3N2O
Molecular Weight:
309.0825
IUPAC Name:
3-[4-(bromomethyl)-3-methoxyphenyl]-3-(trifluoromethyl)diazirine
InChI:
InChI=1S/C10H8BrF3N2O/c1-17-8-4-7(3-2-6(8)5-11)9(15-16-9)10(12,13)14/h2-4H,5H2,1H3
InChI Key:
QVAMEGVCUGUGAJ-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1CBr)C1(N=N1)C(F)(F)F
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.977g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.086g/mol
Monoisotopic Mass:
307.977g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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