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6267-34-1 | 2-Bromo-5-methoxy-1,3-dimethylbenzene
CAS No: 6267-34-1 Catalog No: AG0036ZQ MDL No:MFCD00461692
Product Description
Catalog Number:
AG0036ZQ
Chemical Name:
2-Bromo-5-methoxy-1,3-dimethylbenzene
CAS Number:
6267-34-1
Molecular Formula:
C9H11BrO
Molecular Weight:
215.0870
MDL Number:
MFCD00461692
IUPAC Name:
2-bromo-5-methoxy-1,3-dimethylbenzene
InChI:
InChI=1S/C9H11BrO/c1-6-4-8(11-3)5-7(2)9(6)10/h4-5H,1-3H3
InChI Key:
RAWZVIWEDAGMPW-UHFFFAOYSA-N
SMILES:
COc1cc(C)c(c(c1)C)Br
EC Number:
613-069-2
NSC Number:
37991
Properties
Complexity:
115
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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