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Home > Nitro Compounds > 616-73-9
616-73-9 | 3-METHYL-4,6-DINITROPHENOL
CAS No: 616-73-9 Catalog No: AG00F31J MDL No:MFCD01733992
Product Description
Catalog Number:
AG00F31J
Chemical Name:
3-METHYL-4,6-DINITROPHENOL
CAS Number:
616-73-9
MDL Number:
MFCD01733992
IUPAC Name:
5-methyl-2,4-dinitrophenol
InChI:
InChI=1S/C7H6N2O5/c1-4-2-7(10)6(9(13)14)3-5(4)8(11)12/h2-3,10H,1H3
InChI Key:
ZIFGQZOJBWXBNW-UHFFFAOYSA-N
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.028g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.134g/mol
Monoisotopic Mass:
198.028g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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