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823804-94-0 | Benzenamine, 4-[2,2-dibromo-1-(trifluoromethyl)cyclopropyl]-2-methyl-
CAS No: 823804-94-0 Catalog No: AG004Y11 MDL No:
Product Description
Catalog Number:
AG004Y11
Chemical Name:
Benzenamine, 4-[2,2-dibromo-1-(trifluoromethyl)cyclopropyl]-2-methyl-
CAS Number:
823804-94-0
Molecular Formula:
C11H10Br2F3N
Molecular Weight:
373.0070
IUPAC Name:
4-[2,2-dibromo-1-(trifluoromethyl)cyclopropyl]-2-methylaniline
InChI:
InChI=1S/C11H10Br2F3N/c1-6-4-7(2-3-8(6)17)9(11(14,15)16)5-10(9,12)13/h2-4H,5,17H2,1H3
InChI Key:
QNPSZASDQIMTSD-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1C)C1(CC1(Br)Br)C(F)(F)F
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.911g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
373.011g/mol
Monoisotopic Mass:
370.913g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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