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Home > Nitro Compounds > 1370587-30-6
1370587-30-6 | 2-[4-(4-methylpiperazin-1-yl)-3-nitrobenzoyl]benzoic acid
CAS No: 1370587-30-6 Catalog No: AG00IYN7 MDL No:MFCD21606303
Product Description
Catalog Number:
AG00IYN7
Chemical Name:
2-[4-(4-methylpiperazin-1-yl)-3-nitrobenzoyl]benzoic acid
CAS Number:
1370587-30-6
Molecular Formula:
C19H19N3O5
Molecular Weight:
369.3713
MDL Number:
MFCD21606303
IUPAC Name:
2-[4-(4-methylpiperazin-1-yl)-3-nitrobenzoyl]benzoic acid
InChI:
InChI=1S/C19H19N3O5/c1-20-8-10-21(11-9-20)16-7-6-13(12-17(16)22(26)27)18(23)14-4-2-3-5-15(14)19(24)25/h2-7,12H,8-11H2,1H3,(H,24,25)
InChI Key:
PEMYYMJRUFTHIB-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(=O)c1ccccc1C(=O)O
Properties
Complexity:
570
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.132g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
369.377g/mol
Monoisotopic Mass:
369.132g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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