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851279-18-0 | ethyl 2-[(propan-2-yl)amino]benzoate
CAS No: 851279-18-0 Catalog No: AG01FDO2 MDL No:
Product Description
Catalog Number:
AG01FDO2
Chemical Name:
ethyl 2-[(propan-2-yl)amino]benzoate
CAS Number:
851279-18-0
Molecular Formula:
C12H17NO2
Molecular Weight:
207.2689
IUPAC Name:
ethyl 2-(propan-2-ylamino)benzoate
InChI:
InChI=1S/C12H17NO2/c1-4-15-12(14)10-7-5-6-8-11(10)13-9(2)3/h5-9,13H,4H2,1-3H3
InChI Key:
HQEAQFCNAWECCG-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccccc1NC(C)C
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.273g/mol
Monoisotopic Mass:
207.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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