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75041-88-2 | 8-CHLORO-5-METHYL-2-(1H-TETRAZOL-5-YL)PYRANO[3,2-B]INDOL-4(5H)-ONE
CAS No: 75041-88-2 Catalog No: AG0057AX MDL No:
Product Description
Catalog Number:
AG0057AX
Chemical Name:
8-CHLORO-5-METHYL-2-(1H-TETRAZOL-5-YL)PYRANO[3,2-B]INDOL-4(5H)-ONE
CAS Number:
75041-88-2
Molecular Formula:
C13H8ClN5O2
Molecular Weight:
301.6879
IUPAC Name:
8-chloro-5-methyl-2-(2H-tetrazol-5-yl)pyrano[3,2-b]indol-4-one
InChI:
InChI=1S/C13H8ClN5O2/c1-19-8-3-2-6(14)4-7(8)12-11(19)9(20)5-10(21-12)13-15-17-18-16-13/h2-5H,1H3,(H,15,16,17,18)
InChI Key:
FXHJYMSEVQZZTE-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)c1oc(cc(=O)c1n2C)c1nnn[nH]1
NSC Number:
355276
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.037g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.69g/mol
Monoisotopic Mass:
301.037g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
85.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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