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1349715-75-8 | 4-Bromo-5-isopropyl-2-phenyl-2H-pyrazol-3-ylamine
CAS No: 1349715-75-8 Catalog No: AG01F98T MDL No:MFCD20233399
Product Description
Catalog Number:
AG01F98T
Chemical Name:
4-Bromo-5-isopropyl-2-phenyl-2H-pyrazol-3-ylamine
CAS Number:
1349715-75-8
Molecular Formula:
C12H14BrN3
Molecular Weight:
280.1637
MDL Number:
MFCD20233399
IUPAC Name:
4-bromo-2-phenyl-5-propan-2-ylpyrazol-3-amine
InChI:
InChI=1S/C12H14BrN3/c1-8(2)11-10(13)12(14)16(15-11)9-6-4-3-5-7-9/h3-8H,14H2,1-2H3
InChI Key:
LHXQYRWHGLPYTB-UHFFFAOYSA-N
SMILES:
CC(c1nn(c(c1Br)N)c1ccccc1)C
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.037g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.169g/mol
Monoisotopic Mass:
279.037g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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