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69218-47-9 | Ethyl 3-(1H-1,2,3-benzotriazol-1-yl)propanoate
CAS No: 69218-47-9 Catalog No: AG01FA6N MDL No:MFCD00956732
Product Description
Catalog Number:
AG01FA6N
Chemical Name:
Ethyl 3-(1H-1,2,3-benzotriazol-1-yl)propanoate
CAS Number:
69218-47-9
Molecular Formula:
C11H13N3O2
Molecular Weight:
219.2398
MDL Number:
MFCD00956732
IUPAC Name:
ethyl 3-(benzotriazol-1-yl)propanoate
InChI:
InChI=1S/C11H13N3O2/c1-2-16-11(15)7-8-14-10-6-4-3-5-9(10)12-13-14/h3-6H,2,7-8H2,1H3
InChI Key:
SWANEVFCDQCURJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCn1nnc2c1cccc2
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.101g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.244g/mol
Monoisotopic Mass:
219.101g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
57A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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