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1257856-84-0 | 7H-Pyrrolo[2,3-d]pyrimidine-6-carboxylic acid, 4-bromo-, ethyl ester
CAS No: 1257856-84-0 Catalog No: AG000OQU MDL No:MFCD17215616
Product Description
Catalog Number:
AG000OQU
Chemical Name:
7H-Pyrrolo[2,3-d]pyrimidine-6-carboxylic acid, 4-bromo-, ethyl ester
CAS Number:
1257856-84-0
Molecular Formula:
C9H8BrN3O2
Molecular Weight:
270.0827
MDL Number:
MFCD17215616
IUPAC Name:
ethyl 4-bromo-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate
InChI:
InChI=1S/C9H8BrN3O2/c1-2-15-9(14)6-3-5-7(10)11-4-12-8(5)13-6/h3-4H,2H2,1H3,(H,11,12,13)
InChI Key:
SNJSBIGWIJRRHV-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2c([nH]1)ncnc2Br
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.98g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.086g/mol
Monoisotopic Mass:
268.98g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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