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81012-95-5 | Acetamide,N-[2,2,2-trichloro-1,1-bis(4-chlorophenyl)ethyl]-
CAS No: 81012-95-5 Catalog No: AG005HIS MDL No:
Product Description
Catalog Number:
AG005HIS
Chemical Name:
Acetamide,N-[2,2,2-trichloro-1,1-bis(4-chlorophenyl)ethyl]-
CAS Number:
81012-95-5
Molecular Formula:
C16H12Cl5NO
Molecular Weight:
411.5376
IUPAC Name:
N-[2,2,2-trichloro-1,1-bis(4-chlorophenyl)ethyl]acetamide
InChI:
InChI=1S/C16H12Cl5NO/c1-10(23)22-15(16(19,20)21,11-2-6-13(17)7-3-11)12-4-8-14(18)9-5-12/h2-9H,1H3,(H,22,23)
InChI Key:
MCSLBZGLEIGWTI-UHFFFAOYSA-N
SMILES:
CC(=O)NC(C(Cl)(Cl)Cl)(c1ccc(cc1)Cl)c1ccc(cc1)Cl
EC Number:
279-656-7
NSC Number:
91573
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
410.933g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
411.528g/mol
Monoisotopic Mass:
408.936g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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