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1221186-54-4 | 4H-Thieno[3,2-b]pyrrole-5-carboxylic acid, 2-bromo-6-formyl-, ethyl ester
CAS No: 1221186-54-4 Catalog No: AG0016SN MDL No:
Product Description
Catalog Number:
AG0016SN
Chemical Name:
4H-Thieno[3,2-b]pyrrole-5-carboxylic acid, 2-bromo-6-formyl-, ethyl ester
CAS Number:
1221186-54-4
Molecular Formula:
C10H8BrNO3S
Molecular Weight:
302.1444
IUPAC Name:
ethyl 2-bromo-6-formyl-4H-thieno[3,2-b]pyrrole-5-carboxylate
InChI:
InChI=1S/C10H8BrNO3S/c1-2-15-10(14)8-5(4-13)9-6(12-8)3-7(11)16-9/h3-4,12H,2H2,1H3
InChI Key:
YIADINJUVDYYHW-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1[nH]c2c(c1C=O)sc(c2)Br
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.941g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.142g/mol
Monoisotopic Mass:
300.941g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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