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89145-09-5 | 1H-Pyrazole, 5-(4-chlorophenyl)-4,5-dihydro-3-(thienyl)-
CAS No: 89145-09-5 Catalog No: AG003XI4 MDL No:
Product Description
Catalog Number:
AG003XI4
Chemical Name:
1H-Pyrazole, 5-(4-chlorophenyl)-4,5-dihydro-3-(thienyl)-
CAS Number:
89145-09-5
Molecular Formula:
C13H11ClN2S
Molecular Weight:
262.7578
IUPAC Name:
5-(4-chlorophenyl)-3-thiophen-2-yl-4,5-dihydro-1H-pyrazole
InChI:
InChI=1S/C13H11ClN2S/c14-10-5-3-9(4-6-10)11-8-12(16-15-11)13-2-1-7-17-13/h1-7,11,15H,8H2
InChI Key:
YLWDEGMSZMQDFN-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C1NN=C(C1)c1cccs1
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.033g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.755g/mol
Monoisotopic Mass:
262.033g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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