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121001-06-7 | 2-Methoxy-3-nitrobenzonitrile
CAS No: 121001-06-7 Catalog No: AG003ASD MDL No:MFCD18398370
Product Description
Catalog Number:
AG003ASD
Chemical Name:
2-Methoxy-3-nitrobenzonitrile
CAS Number:
121001-06-7
Molecular Formula:
C8H6N2O3
Molecular Weight:
178.1448
MDL Number:
MFCD18398370
IUPAC Name:
2-methoxy-3-nitrobenzonitrile
InChI:
InChI=1S/C8H6N2O3/c1-13-8-6(5-9)3-2-4-7(8)10(11)12/h2-4H,1H3
InChI Key:
FSYULSNQWMXUNS-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1OC)[N+](=O)[O-]
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.038g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.147g/mol
Monoisotopic Mass:
178.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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