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Home > Bromides > 1233518-04-1
1233518-04-1 | 2-Bromo-N-methyl-4-(trifluoromethoxy)aniline
CAS No: 1233518-04-1 Catalog No: AG01FAL0 MDL No:
Product Description
Catalog Number:
AG01FAL0
Chemical Name:
2-Bromo-N-methyl-4-(trifluoromethoxy)aniline
CAS Number:
1233518-04-1
Molecular Formula:
C8H7BrF3NO
Molecular Weight:
270.0465
IUPAC Name:
2-bromo-N-methyl-4-(trifluoromethoxy)aniline
InChI:
InChI=1S/C8H7BrF3NO/c1-13-7-3-2-5(4-6(7)9)14-8(10,11)12/h2-4,13H,1H3
InChI Key:
OJXBNQJNUSYEIU-UHFFFAOYSA-N
SMILES:
CNc1ccc(cc1Br)OC(F)(F)F
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.966g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.049g/mol
Monoisotopic Mass:
268.966g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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