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845866-54-8 | 1-bromo-3-[(4-methylphenyl)methoxy]benzene
CAS No: 845866-54-8 Catalog No: AG01EXQU MDL No:MFCD06411661
Product Description
Catalog Number:
AG01EXQU
Chemical Name:
1-bromo-3-[(4-methylphenyl)methoxy]benzene
CAS Number:
845866-54-8
Molecular Formula:
C14H13BrO
Molecular Weight:
277.1564
MDL Number:
MFCD06411661
IUPAC Name:
1-bromo-3-[(4-methylphenyl)methoxy]benzene
InChI:
InChI=1S/C14H13BrO/c1-11-5-7-12(8-6-11)10-16-14-4-2-3-13(15)9-14/h2-9H,10H2,1H3
InChI Key:
UUFVKTIXAXHQQW-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)COc1cccc(c1)Br
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.015g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.161g/mol
Monoisotopic Mass:
276.015g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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