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Home > Bromides > 1168106-92-0
1168106-92-0 | 7H-Pyrrolo[2,3-d]pyrimidine-4-carbonitrile, 5-bromo-
CAS No: 1168106-92-0 Catalog No: AG000D8K MDL No:MFCD22556166
Product Description
Catalog Number:
AG000D8K
Chemical Name:
7H-Pyrrolo[2,3-d]pyrimidine-4-carbonitrile, 5-bromo-
CAS Number:
1168106-92-0
Molecular Formula:
C7H3BrN4
Molecular Weight:
223.0295
MDL Number:
MFCD22556166
IUPAC Name:
5-bromo-7H-pyrrolo[2,3-d]pyrimidine-4-carbonitrile
InChI:
InChI=1S/C7H3BrN4/c8-4-2-10-7-6(4)5(1-9)11-3-12-7/h2-3H,(H,10,11,12)
InChI Key:
MFKMGFPWWHXGGL-UHFFFAOYSA-N
SMILES:
N#Cc1ncnc2c1c(Br)c[nH]2
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.954g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.033g/mol
Monoisotopic Mass:
221.954g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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