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1146629-75-5 | Propanoic acid, 2,2-dimethyl-, (4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl ester
CAS No: 1146629-75-5 Catalog No: AG000EZ6 MDL No:MFCD29060065
Product Description
Catalog Number:
AG000EZ6
Chemical Name:
Propanoic acid, 2,2-dimethyl-, (4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl ester
CAS Number:
1146629-75-5
Molecular Formula:
C12H14ClN3O2
Molecular Weight:
267.7115
MDL Number:
MFCD29060065
IUPAC Name:
(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate
InChI:
InChI=1S/C12H14ClN3O2/c1-12(2,3)11(17)18-7-16-5-4-8-9(13)14-6-15-10(8)16/h4-6H,7H2,1-3H3
InChI Key:
DTPDTZKIIYSQPO-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)OCn1ccc2c1ncnc2Cl
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.077g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.713g/mol
Monoisotopic Mass:
267.077g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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