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90971-93-0 | 5-(5-Bromo-2-thienyl)-5-oxovaleric acid
CAS No: 90971-93-0 Catalog No: AG01EZ06 MDL No:MFCD08437600
Product Description
Catalog Number:
AG01EZ06
Chemical Name:
5-(5-Bromo-2-thienyl)-5-oxovaleric acid
CAS Number:
90971-93-0
Molecular Formula:
C9H9BrO3S
Molecular Weight:
277.1350
MDL Number:
MFCD08437600
IUPAC Name:
5-(5-bromothiophen-2-yl)-5-oxopentanoic acid
InChI:
InChI=1S/C9H9BrO3S/c10-8-5-4-7(14-8)6(11)2-1-3-9(12)13/h4-5H,1-3H2,(H,12,13)
InChI Key:
KTXHOVYQNKWDPM-UHFFFAOYSA-N
SMILES:
OC(=O)CCCC(=O)c1ccc(s1)Br
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.946g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.132g/mol
Monoisotopic Mass:
275.946g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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