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77014-10-9 | 2-(2,5-dibromothiophen-3-yl)acetic acid
CAS No: 77014-10-9 Catalog No: AG01EL04 MDL No:
Product Description
Catalog Number:
AG01EL04
Chemical Name:
2-(2,5-dibromothiophen-3-yl)acetic acid
CAS Number:
77014-10-9
Molecular Formula:
C6H4Br2O2S
Molecular Weight:
299.9678
IUPAC Name:
2-(2,5-dibromothiophen-3-yl)acetic acid
InChI:
InChI=1S/C6H4Br2O2S/c7-4-1-3(2-5(9)10)6(8)11-4/h1H,2H2,(H,9,10)
InChI Key:
TXWCVMIANHTMBE-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cc(sc1Br)Br
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.828g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.964g/mol
Monoisotopic Mass:
297.83g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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