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1086376-05-7 | 4-(3-Bromophenoxy)-2-(trifluoromethyl)pyrimidine
CAS No: 1086376-05-7 Catalog No: AG01F9F9 MDL No:
Product Description
Catalog Number:
AG01F9F9
Chemical Name:
4-(3-Bromophenoxy)-2-(trifluoromethyl)pyrimidine
CAS Number:
1086376-05-7
Molecular Formula:
C11H6BrF3N2O
Molecular Weight:
319.0773
IUPAC Name:
4-(3-bromophenoxy)-2-(trifluoromethyl)pyrimidine
InChI:
InChI=1S/C11H6BrF3N2O/c12-7-2-1-3-8(6-7)18-9-4-5-16-10(17-9)11(13,14)15/h1-6H
InChI Key:
IGTMJTBSYMLYBV-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)Oc1ccnc(n1)C(F)(F)F
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.962g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.081g/mol
Monoisotopic Mass:
317.962g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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