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310442-94-5 | Pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid, 4-chloro-5-ethyl-, ethyl ester
CAS No: 310442-94-5 Catalog No: AG0031ZZ MDL No:MFCD12756028
Product Description
Catalog Number:
AG0031ZZ
Chemical Name:
Pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid, 4-chloro-5-ethyl-, ethyl ester
CAS Number:
310442-94-5
Molecular Formula:
C11H12ClN3O2
Molecular Weight:
253.6849
MDL Number:
MFCD12756028
IUPAC Name:
ethyl 4-chloro-5-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
InChI:
InChI=1S/C11H12ClN3O2/c1-3-7-8(11(16)17-4-2)5-15-9(7)10(12)13-6-14-15/h5-6H,3-4H2,1-2H3
InChI Key:
QJCOYJRUMINHLZ-UHFFFAOYSA-N
SMILES:
CCc1c(cn2c1c(Cl)ncn2)C(=O)OCC
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.062g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.686g/mol
Monoisotopic Mass:
253.062g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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