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Home > Nitro Compounds > 832740-22-4
832740-22-4 | 3-[(4-methyl-2-nitrophenoxy)methyl]benzoic acid
CAS No: 832740-22-4 Catalog No: AG00JEB5 MDL No:MFCD03421916
Product Description
Catalog Number:
AG00JEB5
Chemical Name:
3-[(4-methyl-2-nitrophenoxy)methyl]benzoic acid
CAS Number:
832740-22-4
Molecular Formula:
C15H13NO5
Molecular Weight:
287.2674
MDL Number:
MFCD03421916
IUPAC Name:
3-[(4-methyl-2-nitrophenoxy)methyl]benzoic acid
InChI:
InChI=1S/C15H13NO5/c1-10-5-6-14(13(7-10)16(19)20)21-9-11-3-2-4-12(8-11)15(17)18/h2-8H,9H2,1H3,(H,17,18)
InChI Key:
KZVGQSUPPWPZIP-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)[N+](=O)[O-])OCc1cccc(c1)C(=O)O
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.079g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.271g/mol
Monoisotopic Mass:
287.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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