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7325-36-2 | CARBONIC ACID 2-BENZOTHIAZOLYL ETHYL ESTER
CAS No: 7325-36-2 Catalog No: AG0061T4 MDL No:
Product Description
Catalog Number:
AG0061T4
Chemical Name:
CARBONIC ACID 2-BENZOTHIAZOLYL ETHYL ESTER
CAS Number:
7325-36-2
Molecular Formula:
C10H9NO3S
Molecular Weight:
223.2484
IUPAC Name:
1,3-benzothiazol-2-yl ethyl carbonate
InChI:
InChI=1S/C10H9NO3S/c1-2-13-10(12)14-9-11-7-5-3-4-6-8(7)15-9/h3-6H,2H2,1H3
InChI Key:
UWIWTHOHIDKHCS-UHFFFAOYSA-N
SMILES:
CCOC(=O)Oc1nc2c(s1)cccc2
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.03g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.246g/mol
Monoisotopic Mass:
223.03g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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