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1019056-31-5 | 5H-Pyrrolo[3,2-d]pyrimidine-7-carboxylic acid, 4-chloro-
CAS No: 1019056-31-5 Catalog No: AG0005W6 MDL No:MFCD09999221
Product Description
Catalog Number:
AG0005W6
Chemical Name:
5H-Pyrrolo[3,2-d]pyrimidine-7-carboxylic acid, 4-chloro-
CAS Number:
1019056-31-5
Molecular Formula:
C7H4ClN3O2
Molecular Weight:
197.5786
MDL Number:
MFCD09999221
IUPAC Name:
4-chloro-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid
InChI:
InChI=1S/C7H4ClN3O2/c8-6-5-4(10-2-11-6)3(1-9-5)7(12)13/h1-2,9H,(H,12,13)
InChI Key:
SYUREEKHRDWOJX-UHFFFAOYSA-N
SMILES:
OC(=O)c1c[nH]c2c1ncnc2Cl
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.999g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
197.578g/mol
Monoisotopic Mass:
196.999g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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