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100130-16-3 | Phenol, 2,4,6-trichloro-3-nitro-
CAS No: 100130-16-3 Catalog No: AG00011H MDL No:
Product Description
Catalog Number:
AG00011H
Chemical Name:
Phenol, 2,4,6-trichloro-3-nitro-
CAS Number:
100130-16-3
Molecular Formula:
C6H2Cl3NO3
Molecular Weight:
242.4440
IUPAC Name:
2,4,6-trichloro-3-nitrophenol
InChI:
InChI=1S/C6H2Cl3NO3/c7-2-1-3(8)6(11)4(9)5(2)10(12)13/h1,11H
InChI Key:
BGFQCTRASCWDAW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(Cl)cc(c(c1Cl)O)Cl
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.91g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.436g/mol
Monoisotopic Mass:
240.91g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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