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Home > Nitro Compounds > 1461713-27-8
1461713-27-8 | 4-(2-methoxyethoxy)-3-nitrobenzonitrile
CAS No: 1461713-27-8 Catalog No: AG01A6LC MDL No:MFCD26407601
Product Description
Catalog Number:
AG01A6LC
Chemical Name:
4-(2-methoxyethoxy)-3-nitrobenzonitrile
CAS Number:
1461713-27-8
Molecular Formula:
C10H10N2O4
Molecular Weight:
222.1974
MDL Number:
MFCD26407601
IUPAC Name:
4-(2-methoxyethoxy)-3-nitrobenzonitrile
InChI:
InChI=1S/C10H10N2O4/c1-15-4-5-16-10-3-2-8(7-11)6-9(10)12(13)14/h2-3,6H,4-5H2,1H3
InChI Key:
IGJJYVYYZMHHDU-UHFFFAOYSA-N
SMILES:
COCCOc1ccc(cc1[N+](=O)[O-])C#N
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.2g/mol
Monoisotopic Mass:
222.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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