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832699-12-4 | 2-Propenal, 3-(4-amino-3-bromothieno[3,2-c]pyridin-7-yl)-, (2E)-
CAS No: 832699-12-4 Catalog No: AG004YCX MDL No:
Product Description
Catalog Number:
AG004YCX
Chemical Name:
2-Propenal, 3-(4-amino-3-bromothieno[3,2-c]pyridin-7-yl)-, (2E)-
CAS Number:
832699-12-4
Molecular Formula:
C10H7BrN2OS
Molecular Weight:
283.1444
IUPAC Name:
3-(4-amino-3-bromothieno[3,2-c]pyridin-7-yl)prop-2-enal
InChI:
InChI=1S/C10H7BrN2OS/c11-7-5-15-9-6(2-1-3-14)4-13-10(12)8(7)9/h1-5H,(H2,12,13)
InChI Key:
GUKGCQBSJMONNS-UHFFFAOYSA-N
SMILES:
O=C/C=C/c1cnc(c2c1scc2Br)N
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.946g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.143g/mol
Monoisotopic Mass:
281.946g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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