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1638763-24-2 | 7H-Pyrrolo[2,3-d]pyrimidine, 2-chloro-6-iodo-
CAS No: 1638763-24-2 Catalog No: AG001UH8 MDL No:MFCD27987388
Product Description
Catalog Number:
AG001UH8
Chemical Name:
7H-Pyrrolo[2,3-d]pyrimidine, 2-chloro-6-iodo-
CAS Number:
1638763-24-2
Molecular Formula:
C6H3ClIN3
Molecular Weight:
279.4656
MDL Number:
MFCD27987388
IUPAC Name:
2-chloro-6-iodo-7H-pyrrolo[2,3-d]pyrimidine
InChI:
InChI=1S/C6H3ClIN3/c7-6-9-2-3-1-4(8)10-5(3)11-6/h1-2H,(H,9,10,11)
InChI Key:
HJKVVMLWLOQVGB-UHFFFAOYSA-N
SMILES:
Clc1ncc2c(n1)[nH]c(c2)I
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.906g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.465g/mol
Monoisotopic Mass:
278.906g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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