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Home > Nitro Compounds > 321570-85-8
321570-85-8 | N-(3,4-dimethoxyphenyl)-3-nitro-4-(1H-pyrazol-1-yl)benzamide
CAS No: 321570-85-8 Catalog No: AG00IOKC MDL No:MFCD00142098
Product Description
Catalog Number:
AG00IOKC
Chemical Name:
N-(3,4-dimethoxyphenyl)-3-nitro-4-(1H-pyrazol-1-yl)benzamide
CAS Number:
321570-85-8
Molecular Formula:
C18H16N4O5
Molecular Weight:
368.3434
MDL Number:
MFCD00142098
IUPAC Name:
N-(3,4-dimethoxyphenyl)-3-nitro-4-pyrazol-1-ylbenzamide
InChI:
InChI=1S/C18H16N4O5/c1-26-16-7-5-13(11-17(16)27-2)20-18(23)12-4-6-14(15(10-12)22(24)25)21-9-3-8-19-21/h3-11H,1-2H3,(H,20,23)
InChI Key:
KOLIPTJFMJTZNN-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)NC(=O)c1ccc(c(c1)[N+](=O)[O-])n1cccn1
Properties
Complexity:
528
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.112g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
368.349g/mol
Monoisotopic Mass:
368.112g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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