Name: Name:1H-Pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione, 7-bromo-
Brand: Angene
SKU: AG0029B2
Rating: 90 (10 reviews)

1H-Pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione, 7-bromo-

CAS No.:

20419-74-3

Catalog Number:

AG0029B2

Molecular Formula:

C6H4BrN3O2

Molecular Weight:

230.0189

Catalog Number:

AG0029B2

Chemical Name:

1H-Pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione, 7-bromo-

CAS Number:

20419-74-3

Molecular Formula:

C6H4BrN3O2

Molecular Weight:

230.0189

MDL Number:

MFCD29762840

IUPAC Name:

7-bromo-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione

InChI:

InChI=1S/C6H4BrN3O2/c7-2-1-8-4-3(2)9-6(12)10-5(4)11/h1,8H,(H2,9,10,11,12)

InChI Key:

VGTQTXDPTYNVJJ-UHFFFAOYSA-N

SMILES:

O=c1[nH]c(=O)c2c([nH]1)c(Br)c[nH]2

NSC Number:

119856

Complexity:

245

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

228.949g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

230.021g/mol

Monoisotopic Mass:

228.949g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

74A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.3