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13159-73-4 | Phenol, 2-[[(4-nitrophenyl)amino]methyl]-
CAS No: 13159-73-4 Catalog No: AG000ZGT MDL No:
Product Description
Catalog Number:
AG000ZGT
Chemical Name:
Phenol, 2-[[(4-nitrophenyl)amino]methyl]-
CAS Number:
13159-73-4
Molecular Formula:
C13H12N2O3
Molecular Weight:
244.2460
IUPAC Name:
2-[(4-nitroanilino)methyl]phenol
InChI:
InChI=1S/C13H12N2O3/c16-13-4-2-1-3-10(13)9-14-11-5-7-12(8-6-11)15(17)18/h1-8,14,16H,9H2
InChI Key:
XXFBEWGVOTUXHP-UHFFFAOYSA-N
SMILES:
Oc1ccccc1CNc1ccc(cc1)[N+](=O)[O-]
NSC Number:
157699
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.085g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.25g/mol
Monoisotopic Mass:
244.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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