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96991-64-9 | methyl 4-(2-bromoacetyl)thiophene-2-carboxylate
CAS No: 96991-64-9 Catalog No: AG01ELYY MDL No:
Product Description
Catalog Number:
AG01ELYY
Chemical Name:
methyl 4-(2-bromoacetyl)thiophene-2-carboxylate
CAS Number:
96991-64-9
Molecular Formula:
C8H7BrO3S
Molecular Weight:
263.1084
IUPAC Name:
methyl 4-(2-bromoacetyl)thiophene-2-carboxylate
InChI:
InChI=1S/C8H7BrO3S/c1-12-8(11)7-2-5(4-13-7)6(10)3-9/h2,4H,3H2,1H3
InChI Key:
JONVBZSBGOIKNB-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1csc(c1)C(=O)OC
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.93g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.105g/mol
Monoisotopic Mass:
261.93g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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