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Home > Nitro Compounds > 438220-54-3
438220-54-3 | 3-(3-METHYL-4-NITRO-PHENOXYMETHYL)-BENZOIC ACID HYDRAZIDE
CAS No: 438220-54-3 Catalog No: AG01ANOK MDL No:MFCD03423093
Product Description
Catalog Number:
AG01ANOK
Chemical Name:
3-(3-METHYL-4-NITRO-PHENOXYMETHYL)-BENZOIC ACID HYDRAZIDE
CAS Number:
438220-54-3
Molecular Formula:
C15H15N3O4
Molecular Weight:
301.2973
MDL Number:
MFCD03423093
IUPAC Name:
3-[(3-methyl-4-nitrophenoxy)methyl]benzohydrazide
InChI:
InChI=1S/C15H15N3O4/c1-10-7-13(5-6-14(10)18(20)21)22-9-11-3-2-4-12(8-11)15(19)17-16/h2-8H,9,16H2,1H3,(H,17,19)
InChI Key:
BWVUQDSVBYFODB-UHFFFAOYSA-N
SMILES:
NNC(=O)c1cccc(c1)COc1ccc(c(c1)C)[N+](=O)[O-]
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.106g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
301.302g/mol
Monoisotopic Mass:
301.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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