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Home > Nitro Compounds > 331866-23-0
331866-23-0 | N-(2-Methyl-5-oxazolo[4,5-b]pyridin-2-yl-phenyl)-3-nitro-benzamide
CAS No: 331866-23-0 Catalog No: AG01F2FD MDL No:MFCD01063191
Product Description
Catalog Number:
AG01F2FD
Chemical Name:
N-(2-Methyl-5-oxazolo[4,5-b]pyridin-2-yl-phenyl)-3-nitro-benzamide
CAS Number:
331866-23-0
Molecular Formula:
C20H14N4O4
Molecular Weight:
374.3496
MDL Number:
MFCD01063191
IUPAC Name:
N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-nitrobenzamide
InChI:
InChI=1S/C20H14N4O4/c1-12-7-8-14(20-23-18-17(28-20)6-3-9-21-18)11-16(12)22-19(25)13-4-2-5-15(10-13)24(26)27/h2-11H,1H3,(H,22,25)
InChI Key:
RLHCFSAKMPXJBM-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1NC(=O)c1cccc(c1)[N+](=O)[O-])c1nc2c(o1)cccn2
Properties
Complexity:
583
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.102g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
374.356g/mol
Monoisotopic Mass:
374.102g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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