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1012785-51-1 | 7H-Pyrrolo[2,3-d]pyrimidine, 2,4-dichloro-5-iodo-
CAS No: 1012785-51-1 Catalog No: AG000446 MDL No:MFCD13189364
Product Description
Catalog Number:
AG000446
Chemical Name:
7H-Pyrrolo[2,3-d]pyrimidine, 2,4-dichloro-5-iodo-
CAS Number:
1012785-51-1
Molecular Formula:
C6H2Cl2IN3
Molecular Weight:
313.9106
MDL Number:
MFCD13189364
IUPAC Name:
2,4-dichloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine
InChI:
InChI=1S/C6H2Cl2IN3/c7-4-3-2(9)1-10-5(3)12-6(8)11-4/h1H,(H,10,11,12)
InChI Key:
RIRSSBIXHXMTLS-UHFFFAOYSA-N
SMILES:
Clc1nc(Cl)c2c(n1)[nH]cc2I
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.867g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
313.907g/mol
Monoisotopic Mass:
312.867g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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