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757983-02-1 | Benzoic acid, 4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-, ethyl ester
CAS No: 757983-02-1 Catalog No: AG00GC48 MDL No:
Product Description
Catalog Number:
AG00GC48
Chemical Name:
Benzoic acid, 4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-, ethyl ester
CAS Number:
757983-02-1
IUPAC Name:
ethyl 4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)benzoate
InChI:
InChI=1S/C16H13IN2O2/c1-2-21-16(20)11-5-3-10(4-6-11)12-7-13-14(17)9-19-15(13)18-8-12/h3-9H,2H2,1H3,(H,18,19)
InChI Key:
XVENNQIEXLHRMA-UHFFFAOYSA-N
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.002g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
392.196g/mol
Monoisotopic Mass:
392.002g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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