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122488-89-5 | Benzene, 4-(bromomethyl)-1-methoxy-2-methyl-
CAS No: 122488-89-5 Catalog No: AG0017AP MDL No:MFCD12025379
Product Description
Catalog Number:
AG0017AP
Chemical Name:
Benzene, 4-(bromomethyl)-1-methoxy-2-methyl-
CAS Number:
122488-89-5
Molecular Formula:
C9H11BrO
Molecular Weight:
215.0870
MDL Number:
MFCD12025379
IUPAC Name:
4-(bromomethyl)-1-methoxy-2-methylbenzene
InChI:
InChI=1S/C9H11BrO/c1-7-5-8(6-10)3-4-9(7)11-2/h3-5H,6H2,1-2H3
InChI Key:
LUAPVXVRGYPASS-UHFFFAOYSA-N
SMILES:
BrCc1ccc(c(c1)C)OC
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.999g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.09g/mol
Monoisotopic Mass:
213.999g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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