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1146080-35-4 | 1H-Indole, 3-(4-chloro-2-pyrimidinyl)-
CAS No: 1146080-35-4 Catalog No: AG000ET2 MDL No:
Product Description
Catalog Number:
AG000ET2
Chemical Name:
1H-Indole, 3-(4-chloro-2-pyrimidinyl)-
CAS Number:
1146080-35-4
Molecular Formula:
C12H8ClN3
Molecular Weight:
229.6650
IUPAC Name:
3-(4-chloropyrimidin-2-yl)-1H-indole
InChI:
InChI=1S/C12H8ClN3/c13-11-5-6-14-12(16-11)9-7-15-10-4-2-1-3-8(9)10/h1-7,15H
InChI Key:
SSMRRSISOOWZFS-UHFFFAOYSA-N
SMILES:
Clc1ccnc(n1)c1c[nH]c2c1cccc2
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.041g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.667g/mol
Monoisotopic Mass:
229.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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