Home Halogens methyl 2-{[(5-chlorothiophen-2-yl)methyl]amino}acetate

methyl 2-{[(5-chlorothiophen-2-yl)methyl]amino}acetate

CAS No.:
1021000-80-5
Catalog Number:
AG019TW8
Molecular Formula:
C8H10ClNO2S
Molecular Weight:
219.6885
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Product Description
Catalog Number:
AG019TW8
Chemical Name:
methyl 2-{[(5-chlorothiophen-2-yl)methyl]amino}acetate
CAS Number:
1021000-80-5
Molecular Formula:
C8H10ClNO2S
Molecular Weight:
219.6885
MDL Number:
MFCD11150560
IUPAC Name:
methyl 2-[(5-chlorothiophen-2-yl)methylamino]acetate
InChI:
InChI=1S/C8H10ClNO2S/c1-12-8(11)5-10-4-6-2-3-7(9)13-6/h2-3,10H,4-5H2,1H3
InChI Key:
MNWQSKIRQZPQLN-UHFFFAOYSA-N
SMILES:
COC(=O)CNCc1ccc(s1)Cl
Properties
Complexity:
180  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.012g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
219.683g/mol
Monoisotopic Mass:
219.012g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties