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186519-92-6 | 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid
CAS No: 186519-92-6 Catalog No: AG0037WM MDL No:MFCD11518908
Product Description
Catalog Number:
AG0037WM
Chemical Name:
4-Chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid
CAS Number:
186519-92-6
Molecular Formula:
C7H4ClN3O2
Molecular Weight:
197.5786
MDL Number:
MFCD11518908
IUPAC Name:
4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid
InChI:
InChI=1S/C7H4ClN3O2/c8-5-4-3(7(12)13)1-9-6(4)11-2-10-5/h1-2H,(H,12,13)(H,9,10,11)
InChI Key:
LRWDLEGXXQAORM-UHFFFAOYSA-N
SMILES:
OC(=O)c1c[nH]c2c1c(Cl)ncn2
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:
1.2
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