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146285-52-1 | Ethanimidic acid, 2,2,2-trichloro-, (4-bromophenyl)methyl ester
CAS No: 146285-52-1 Catalog No: AG001DUS MDL No:
Product Description
Catalog Number:
AG001DUS
Chemical Name:
Ethanimidic acid, 2,2,2-trichloro-, (4-bromophenyl)methyl ester
CAS Number:
146285-52-1
Molecular Formula:
C9H7BrCl3NO
Molecular Weight:
331.4210
IUPAC Name:
(4-bromophenyl)methyl 2,2,2-trichloroethanimidate
InChI:
InChI=1S/C9H7BrCl3NO/c10-7-3-1-6(2-4-7)5-15-8(14)9(11,12)13/h1-4,14H,5H2
InChI Key:
WQEXDJSXJGBFFM-UHFFFAOYSA-N
SMILES:
N=C(C(Cl)(Cl)Cl)OCc1ccc(cc1)Br
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.878g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
331.415g/mol
Monoisotopic Mass:
328.878g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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