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1292287-11-6 | 7H-Pyrrolo[2,3-d]pyrimidine-4-carboxylic acid, 2-chloro-
CAS No: 1292287-11-6 Catalog No: AG000YZB MDL No:MFCD20661080
Product Description
Catalog Number:
AG000YZB
Chemical Name:
7H-Pyrrolo[2,3-d]pyrimidine-4-carboxylic acid, 2-chloro-
CAS Number:
1292287-11-6
Molecular Formula:
C7H4ClN3O2
Molecular Weight:
197.5786
MDL Number:
MFCD20661080
IUPAC Name:
2-chloro-7H-pyrrolo[2,3-d]pyrimidine-4-carboxylic acid
InChI:
InChI=1S/C7H4ClN3O2/c8-7-10-4(6(12)13)3-1-2-9-5(3)11-7/h1-2H,(H,12,13)(H,9,10,11)
InChI Key:
JYJJQIASHARUKN-UHFFFAOYSA-N
SMILES:
Clc1nc(C(=O)O)c2c(n1)[nH]cc2
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:
1.5
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