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89379-87-3 | 2-Thiopheneacetic acid,a-amino-5-chloro-
CAS No: 89379-87-3 Catalog No: AG003WDI MDL No:
Product Description
Catalog Number:
AG003WDI
Chemical Name:
2-Thiopheneacetic acid,a-amino-5-chloro-
CAS Number:
89379-87-3
Molecular Formula:
C6H6ClNO2S
Molecular Weight:
191.6353
IUPAC Name:
2-amino-2-(5-chlorothiophen-2-yl)acetic acid
InChI:
InChI=1S/C6H6ClNO2S/c7-4-2-1-3(11-4)5(8)6(9)10/h1-2,5H,8H2,(H,9,10)
InChI Key:
DSEXZEXIQLWAKE-UHFFFAOYSA-N
SMILES:
NC(c1ccc(s1)Cl)C(=O)O
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.981g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
191.629g/mol
Monoisotopic Mass:
190.981g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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