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Home > Nitro Compounds > 861237-97-0
861237-97-0 | 4-(3-METHYL-4-NITRO-PHENOXYMETHYL)-BENZOIC ACID HYDRAZIDE
CAS No: 861237-97-0 Catalog No: AG01ANOF MDL No:MFCD03423086
Product Description
Catalog Number:
AG01ANOF
Chemical Name:
4-(3-METHYL-4-NITRO-PHENOXYMETHYL)-BENZOIC ACID HYDRAZIDE
CAS Number:
861237-97-0
Molecular Formula:
C15H15N3O4
Molecular Weight:
301.2973
MDL Number:
MFCD03423086
IUPAC Name:
4-[(3-methyl-4-nitrophenoxy)methyl]benzohydrazide
InChI:
InChI=1S/C15H15N3O4/c1-10-8-13(6-7-14(10)18(20)21)22-9-11-2-4-12(5-3-11)15(19)17-16/h2-8H,9,16H2,1H3,(H,17,19)
InChI Key:
MDDZSZFCSAOTCO-UHFFFAOYSA-N
SMILES:
NNC(=O)c1ccc(cc1)COc1ccc(c(c1)C)[N+](=O)[O-]
Properties
Complexity:
391
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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