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845866-53-7 | 1-(3-bromophenoxymethyl)-2-methylbenzene
CAS No: 845866-53-7 Catalog No: AG01EXQT MDL No:MFCD06411660
Product Description
Catalog Number:
AG01EXQT
Chemical Name:
1-(3-bromophenoxymethyl)-2-methylbenzene
CAS Number:
845866-53-7
Molecular Formula:
C14H13BrO
Molecular Weight:
277.1564
MDL Number:
MFCD06411660
IUPAC Name:
1-bromo-3-[(2-methylphenyl)methoxy]benzene
InChI:
InChI=1S/C14H13BrO/c1-11-5-2-3-6-12(11)10-16-14-8-4-7-13(15)9-14/h2-9H,10H2,1H3
InChI Key:
ACGIUZUOTBCQHD-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)OCc1ccccc1C
Properties
Complexity:
207
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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