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Home > Bromides > 1429056-20-1
1429056-20-1 | 2-Bromo-1-methoxy-4-pentafluoroethyl-benzene
CAS No: 1429056-20-1 Catalog No: AG01FAO3 MDL No:MFCD23701357
Product Description
Catalog Number:
AG01FAO3
Chemical Name:
2-Bromo-1-methoxy-4-pentafluoroethyl-benzene
CAS Number:
1429056-20-1
Molecular Formula:
C9H6BrF5O
Molecular Weight:
305.0394
MDL Number:
MFCD23701357
IUPAC Name:
2-bromo-1-methoxy-4-(1,1,2,2,2-pentafluoroethyl)benzene
InChI:
InChI=1S/C9H6BrF5O/c1-16-7-3-2-5(4-6(7)10)8(11,12)9(13,14)15/h2-4H,1H3
InChI Key:
OKHGMFLVKDUDOH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1Br)C(C(F)(F)F)(F)F
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.952g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.042g/mol
Monoisotopic Mass:
303.952g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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