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20419-73-2 | 1H-Pyrrolo[3,2-d]pyrimidine-6-carboxylic acid, 7-bromo-2,3,4,5-tetrahydro-2,4-dioxo-
CAS No: 20419-73-2 Catalog No: AG0029B3 MDL No:
Product Description
Catalog Number:
AG0029B3
Chemical Name:
1H-Pyrrolo[3,2-d]pyrimidine-6-carboxylic acid, 7-bromo-2,3,4,5-tetrahydro-2,4-dioxo-
CAS Number:
20419-73-2
Molecular Formula:
C7H4BrN3O4
Molecular Weight:
274.0284
IUPAC Name:
7-bromo-2,4-dioxo-1,5-dihydropyrrolo[3,2-d]pyrimidine-6-carboxylic acid
InChI:
InChI=1S/C7H4BrN3O4/c8-1-2-4(9-3(1)6(13)14)5(12)11-7(15)10-2/h9H,(H,13,14)(H2,10,11,12,15)
InChI Key:
MPSCPTHDTTWEMR-UHFFFAOYSA-N
SMILES:
OC(=O)c1[nH]c2c(c1Br)[nH]c(=O)[nH]c2=O
NSC Number:
108601
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.939g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
274.03g/mol
Monoisotopic Mass:
272.939g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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