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895042-70-3 | 3-(tert-Butyl)-1-(3-chlorophenyl)-1H-pyrazol-5-amine
CAS No: 895042-70-3 Catalog No: AG0041U6 MDL No:MFCD04115099
Product Description
Catalog Number:
AG0041U6
Chemical Name:
3-(tert-Butyl)-1-(3-chlorophenyl)-1H-pyrazol-5-amine
CAS Number:
895042-70-3
Molecular Formula:
C13H16ClN3
Molecular Weight:
249.7392
MDL Number:
MFCD04115099
IUPAC Name:
5-tert-butyl-2-(3-chlorophenyl)pyrazol-3-amine
InChI:
InChI=1S/C13H16ClN3/c1-13(2,3)11-8-12(15)17(16-11)10-6-4-5-9(14)7-10/h4-8H,15H2,1-3H3
InChI Key:
IWCLOZVCLBLBQX-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)n1nc(cc1N)C(C)(C)C
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.103g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.742g/mol
Monoisotopic Mass:
249.103g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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