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890091-44-8 | 4-Chloro-7-(3-chlorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine
CAS No: 890091-44-8 Catalog No: AG01FMQI MDL No:MFCD03030414
Product Description
Catalog Number:
AG01FMQI
Chemical Name:
4-Chloro-7-(3-chlorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine
CAS Number:
890091-44-8
Molecular Formula:
C18H11Cl2N3
Molecular Weight:
340.2060
MDL Number:
MFCD03030414
IUPAC Name:
4-chloro-7-(3-chlorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidine
InChI:
InChI=1S/C18H11Cl2N3/c19-13-7-4-8-14(9-13)23-10-15(12-5-2-1-3-6-12)16-17(20)21-11-22-18(16)23/h1-11H
InChI Key:
JNXSUVKWDMIEIE-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)n1cc(c2c1ncnc2Cl)c1ccccc1
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.033g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.207g/mol
Monoisotopic Mass:
339.033g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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