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1313038-21-9 | Methanone, (4-chloro-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl-
CAS No: 1313038-21-9 Catalog No: AG000VWW MDL No:
Product Description
Catalog Number:
AG000VWW
Chemical Name:
Methanone, (4-chloro-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl-
CAS Number:
1313038-21-9
Molecular Formula:
C14H10ClN3O
Molecular Weight:
271.7017
IUPAC Name:
(4-chloro-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-phenylmethanone
InChI:
InChI=1S/C14H10ClN3O/c1-18-7-10(11-13(15)16-8-17-14(11)18)12(19)9-5-3-2-4-6-9/h2-8H,1H3
InChI Key:
OGLFZJVUQGATFC-UHFFFAOYSA-N
SMILES:
O=C(c1cn(c2c1c(Cl)ncn2)C)c1ccccc1
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.051g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.704g/mol
Monoisotopic Mass:
271.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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