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944278-95-9 | 4-Bromo-1-fluoro-2-isopropoxybenzene
CAS No: 944278-95-9 Catalog No: AG00II5K MDL No:MFCD18447602
Product Description
Catalog Number:
AG00II5K
Chemical Name:
4-Bromo-1-fluoro-2-isopropoxybenzene
CAS Number:
944278-95-9
Molecular Formula:
C9H10BrFO
Molecular Weight:
233.0775
MDL Number:
MFCD18447602
IUPAC Name:
4-bromo-1-fluoro-2-propan-2-yloxybenzene
InChI:
InChI=1S/C9H10BrFO/c1-6(2)12-9-5-7(10)3-4-8(9)11/h3-6H,1-2H3
InChI Key:
VVWMTCPHQYYNBO-UHFFFAOYSA-N
SMILES:
CC(Oc1cc(Br)ccc1F)C
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.99g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.08g/mol
Monoisotopic Mass:
231.99g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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