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1065483-78-4 | [(2-Chloro-thiazol-5-ylmethyl)-amino]-acetic acid
CAS No: 1065483-78-4 Catalog No: AG01F95V MDL No:
Product Description
Catalog Number:
AG01F95V
Chemical Name:
[(2-Chloro-thiazol-5-ylmethyl)-amino]-acetic acid
CAS Number:
1065483-78-4
Molecular Formula:
C6H7ClN2O2S
Molecular Weight:
206.6500
IUPAC Name:
2-[(2-chloro-1,3-thiazol-5-yl)methylamino]acetic acid
InChI:
InChI=1S/C6H7ClN2O2S/c7-6-9-2-4(12-6)1-8-3-5(10)11/h2,8H,1,3H2,(H,10,11)
InChI Key:
JXXIGZLDDAPRLJ-UHFFFAOYSA-N
SMILES:
OC(=O)CNCc1cnc(s1)Cl
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.992g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
206.644g/mol
Monoisotopic Mass:
205.992g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
90.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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