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Home > Nitro Compounds > 64047-74-1
64047-74-1 | 6-(α-Methylbenzyl)-2,4-dinitrophenol
CAS No: 64047-74-1 Catalog No: AG00F6SE MDL No:
Product Description
Catalog Number:
AG00F6SE
Chemical Name:
6-(α-Methylbenzyl)-2,4-dinitrophenol
CAS Number:
64047-74-1
IUPAC Name:
2,4-dinitro-6-(1-phenylethyl)phenol
InChI:
InChI=1S/C14H12N2O5/c1-9(10-5-3-2-4-6-10)12-7-11(15(18)19)8-13(14(12)17)16(20)21/h2-9,17H,1H3
InChI Key:
DGTJUIOBQZQQSD-UHFFFAOYSA-N
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.075g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.259g/mol
Monoisotopic Mass:
288.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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