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74990-43-5 | 5-Amino-1-(2-nitro-4-(trifluoromethyl);phenyl);-1H-pyrazole-4-carbonitrile
CAS No: 74990-43-5 Catalog No: AG005F01 MDL No:MFCD00205968
Product Description
Catalog Number:
AG005F01
Chemical Name:
5-Amino-1-(2-nitro-4-(trifluoromethyl);phenyl);-1H-pyrazole-4-carbonitrile
CAS Number:
74990-43-5
Molecular Formula:
C11H6F3N5O2
Molecular Weight:
297.1928
MDL Number:
MFCD00205968
IUPAC Name:
5-amino-1-[2-nitro-4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile
InChI:
InChI=1S/C11H6F3N5O2/c12-11(13,14)7-1-2-8(9(3-7)19(20)21)18-10(16)6(4-15)5-17-18/h1-3,5H,16H2
InChI Key:
CHSSXZWQMONVKB-UHFFFAOYSA-N
SMILES:
N#Cc1cnn(c1N)c1ccc(cc1[N+](=O)[O-])C(F)(F)F
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.047g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.197g/mol
Monoisotopic Mass:
297.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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