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Home > Bromides > 1236031-38-1
1236031-38-1 | 1-bromo-4-[difluoro(methoxy)methyl]benzene
CAS No: 1236031-38-1 Catalog No: AG01ELCO MDL No:
Product Description
Catalog Number:
AG01ELCO
Chemical Name:
1-bromo-4-[difluoro(methoxy)methyl]benzene
CAS Number:
1236031-38-1
Molecular Formula:
C8H7BrF2O
Molecular Weight:
237.0414
IUPAC Name:
1-bromo-4-[difluoro(methoxy)methyl]benzene
InChI:
InChI=1S/C8H7BrF2O/c1-12-8(10,11)6-2-4-7(9)5-3-6/h2-5H,1H3
InChI Key:
XACPVAIECFJINJ-UHFFFAOYSA-N
SMILES:
COC(c1ccc(cc1)Br)(F)F
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.965g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.044g/mol
Monoisotopic Mass:
235.965g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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