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1146080-38-7 | 1H-Indole, 3-(6-chloro-4-pyrimidinyl)-
CAS No: 1146080-38-7 Catalog No: AG000ET1 MDL No:MFCD11915919
Product Description
Catalog Number:
AG000ET1
Chemical Name:
1H-Indole, 3-(6-chloro-4-pyrimidinyl)-
CAS Number:
1146080-38-7
Molecular Formula:
C12H8ClN3
Molecular Weight:
229.6650
MDL Number:
MFCD11915919
IUPAC Name:
3-(6-chloropyrimidin-4-yl)-1H-indole
InChI:
InChI=1S/C12H8ClN3/c13-12-5-11(15-7-16-12)9-6-14-10-4-2-1-3-8(9)10/h1-7,14H
InChI Key:
DIFPXHKNSVUWBQ-UHFFFAOYSA-N
SMILES:
Clc1ncnc(c1)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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