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1215458-83-5 | 2-(4-Bromo-1H-pyrazol-1-yl)-4-(trifluoromethyl)pyrimidine
CAS No: 1215458-83-5 Catalog No: AG01F77C MDL No:
Product Description
Catalog Number:
AG01F77C
Chemical Name:
2-(4-Bromo-1H-pyrazol-1-yl)-4-(trifluoromethyl)pyrimidine
CAS Number:
1215458-83-5
Molecular Formula:
C8H4BrF3N4
Molecular Weight:
293.0434
IUPAC Name:
2-(4-bromopyrazol-1-yl)-4-(trifluoromethyl)pyrimidine
InChI:
InChI=1S/C8H4BrF3N4/c9-5-3-14-16(4-5)7-13-2-1-6(15-7)8(10,11)12/h1-4H
InChI Key:
DGEMXWKUVYYUHK-UHFFFAOYSA-N
SMILES:
Brc1cnn(c1)c1nccc(n1)C(F)(F)F
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.957g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.047g/mol
Monoisotopic Mass:
291.957g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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