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Home > Bromides > 1356113-23-9
1356113-23-9 | 4-Bromo-2,3-dimethylbenzotrifluoride
CAS No: 1356113-23-9 Catalog No: AG01FDIP MDL No:MFCD18917148
Product Description
Catalog Number:
AG01FDIP
Chemical Name:
4-Bromo-2,3-dimethylbenzotrifluoride
CAS Number:
1356113-23-9
Molecular Formula:
C9H8BrF3
Molecular Weight:
253.0590
MDL Number:
MFCD18917148
IUPAC Name:
1-bromo-2,3-dimethyl-4-(trifluoromethyl)benzene
InChI:
InChI=1S/C9H8BrF3/c1-5-6(2)8(10)4-3-7(5)9(11,12)13/h3-4H,1-2H3
InChI Key:
NLSFERYGBHATKO-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1C)C)C(F)(F)F
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.976g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.062g/mol
Monoisotopic Mass:
251.976g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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