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1269292-82-1 | Benzonitrile, 2-amino-4-methoxy-5-nitro-
CAS No: 1269292-82-1 Catalog No: AG000TKB MDL No:MFCD18072416
Product Description
Catalog Number:
AG000TKB
Chemical Name:
Benzonitrile, 2-amino-4-methoxy-5-nitro-
CAS Number:
1269292-82-1
Molecular Formula:
C8H7N3O3
Molecular Weight:
193.1595
MDL Number:
MFCD18072416
IUPAC Name:
2-amino-4-methoxy-5-nitrobenzonitrile
InChI:
InChI=1S/C8H7N3O3/c1-14-8-3-6(10)5(4-9)2-7(8)11(12)13/h2-3H,10H2,1H3
InChI Key:
LYDXIVHSGDCURB-UHFFFAOYSA-N
SMILES:
COc1cc(N)c(cc1[N+](=O)[O-])C#N
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.049g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.162g/mol
Monoisotopic Mass:
193.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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