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Home > Bromides > 1638763-74-2
1638763-74-2 | 7H-Pyrrolo[2,3-d]pyrimidine-4-carboxylic acid, 5-bromo-
CAS No: 1638763-74-2 Catalog No: AG001UIF MDL No:MFCD27987410
Product Description
Catalog Number:
AG001UIF
Chemical Name:
7H-Pyrrolo[2,3-d]pyrimidine-4-carboxylic acid, 5-bromo-
CAS Number:
1638763-74-2
Molecular Formula:
C7H4BrN3O2
Molecular Weight:
242.0296
MDL Number:
MFCD27987410
IUPAC Name:
5-bromo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxylic acid
InChI:
InChI=1S/C7H4BrN3O2/c8-3-1-9-6-4(3)5(7(12)13)10-2-11-6/h1-2H,(H,12,13)(H,9,10,11)
InChI Key:
BUQMKBUEOFOPST-UHFFFAOYSA-N
SMILES:
OC(=O)c1ncnc2c1c(Br)c[nH]2
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.949g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
242.032g/mol
Monoisotopic Mass:
240.949g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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