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175791-49-8 | 7H-Pyrrolo[2,3-d]pyrimidine, 5-bromo-
CAS No: 175791-49-8 Catalog No: AG00216J MDL No:MFCD01877574
Product Description
Catalog Number:
AG00216J
Chemical Name:
7H-Pyrrolo[2,3-d]pyrimidine, 5-bromo-
CAS Number:
175791-49-8
Molecular Formula:
C6H4BrN3
Molecular Weight:
198.0201
MDL Number:
MFCD01877574
IUPAC Name:
5-bromo-7H-pyrrolo[2,3-d]pyrimidine
InChI:
InChI=1S/C6H4BrN3/c7-5-2-9-6-4(5)1-8-3-10-6/h1-3H,(H,8,9,10)
InChI Key:
CMXNUWNEWCACQH-UHFFFAOYSA-N
SMILES:
Brc1c[nH]c2c1cncn2
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.959g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.023g/mol
Monoisotopic Mass:
196.959g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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