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27771-75-1 | Acetic acid, 2,2,2-trichloro-, compd. with benzenamine (1:1)
CAS No: 27771-75-1 Catalog No: AG002UP7 MDL No:
Product Description
Catalog Number:
AG002UP7
Chemical Name:
Acetic acid, 2,2,2-trichloro-, compd. with benzenamine (1:1)
CAS Number:
27771-75-1
Molecular Formula:
C8H8Cl3NO2
Molecular Weight:
256.5136
IUPAC Name:
aniline;2,2,2-trichloroacetic acid
InChI:
InChI=1S/C6H7N.C2HCl3O2/c7-6-4-2-1-3-5-6;3-2(4,5)1(6)7/h1-5H,7H2;(H,6,7)
InChI Key:
SVAZOONLLJSQPP-UHFFFAOYSA-N
SMILES:
OC(=O)C(Cl)(Cl)Cl.Nc1ccccc1
NSC Number:
83545
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.962g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
256.507g/mol
Monoisotopic Mass:
254.962g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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