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200956-14-5 | Benzene, 2-bromo-1-methoxy-4-(trifluoromethoxy)-
CAS No: 200956-14-5 Catalog No: AG002D3F MDL No:MFCD04973759
Product Description
Catalog Number:
AG002D3F
Chemical Name:
Benzene, 2-bromo-1-methoxy-4-(trifluoromethoxy)-
CAS Number:
200956-14-5
Molecular Formula:
C8H6BrF3O2
Molecular Weight:
271.0312
MDL Number:
MFCD04973759
IUPAC Name:
2-bromo-1-methoxy-4-(trifluoromethoxy)benzene
InChI:
InChI=1S/C8H6BrF3O2/c1-13-7-3-2-5(4-6(7)9)14-8(10,11)12/h2-4H,1H3
InChI Key:
NLXLUYVVEOZWNB-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1Br)OC(F)(F)F
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.95g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.033g/mol
Monoisotopic Mass:
269.95g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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