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75584-60-0 | Ethyl 2-(1H-1,2,3-benzotriazol-1-yl)propanoate
CAS No: 75584-60-0 Catalog No: AG01FA6Q MDL No:
Product Description
Catalog Number:
AG01FA6Q
Chemical Name:
Ethyl 2-(1H-1,2,3-benzotriazol-1-yl)propanoate
CAS Number:
75584-60-0
Molecular Formula:
C11H13N3O2
Molecular Weight:
219.2398
IUPAC Name:
ethyl 2-(benzotriazol-1-yl)propanoate
InChI:
InChI=1S/C11H13N3O2/c1-3-16-11(15)8(2)14-10-7-5-4-6-9(10)12-13-14/h4-8H,3H2,1-2H3
InChI Key:
ASDAJLFZUMJGHM-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(n1nnc2c1cccc2)C
Properties
Complexity:
260
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:
4
Topological Polar Surface Area:
57A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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