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1020046-39-2 | Benzonitrile, 5-amino-2-ethoxy-
CAS No: 1020046-39-2 Catalog No: AG0006AP MDL No:MFCD10686562
Product Description
Catalog Number:
AG0006AP
Chemical Name:
Benzonitrile, 5-amino-2-ethoxy-
CAS Number:
1020046-39-2
Molecular Formula:
C9H10N2O
Molecular Weight:
162.1885
MDL Number:
MFCD10686562
IUPAC Name:
5-amino-2-ethoxybenzonitrile
InChI:
InChI=1S/C9H10N2O/c1-2-12-9-4-3-8(11)5-7(9)6-10/h3-5H,2,11H2,1H3
InChI Key:
RIPHVNUYRKOROW-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1C#N)N
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
162.192g/mol
Monoisotopic Mass:
162.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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