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23453-90-9 | Benzene, 2-bromo-4-methoxy-1,3-dimethyl-
CAS No: 23453-90-9 Catalog No: AG002NAG MDL No:
Product Description
Catalog Number:
AG002NAG
Chemical Name:
Benzene, 2-bromo-4-methoxy-1,3-dimethyl-
CAS Number:
23453-90-9
Molecular Formula:
C9H11BrO
Molecular Weight:
215.0870
IUPAC Name:
3-bromo-1-methoxy-2,4-dimethylbenzene
InChI:
InChI=1S/C9H11BrO/c1-6-4-5-8(11-3)7(2)9(6)10/h4-5H,1-3H3
InChI Key:
FADYDSCBJSKXOO-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1C)Br)C
Properties
Complexity:
127
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:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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