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35047-51-9 | Benzene, 5-(bromomethyl)-1,3-dimethoxy-2-methyl-
CAS No: 35047-51-9 Catalog No: AG01F9N5 MDL No:
Product Description
Catalog Number:
AG01F9N5
Chemical Name:
Benzene, 5-(bromomethyl)-1,3-dimethoxy-2-methyl-
CAS Number:
35047-51-9
Molecular Formula:
C10H13BrO2
Molecular Weight:
245.1130
IUPAC Name:
5-(bromomethyl)-1,3-dimethoxy-2-methylbenzene
InChI:
InChI=1S/C10H13BrO2/c1-7-9(12-2)4-8(6-11)5-10(7)13-3/h4-5H,6H2,1-3H3
InChI Key:
CYVUSDVVLUCOTQ-UHFFFAOYSA-N
SMILES:
COc1cc(CBr)cc(c1C)OC
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.01g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.116g/mol
Monoisotopic Mass:
244.01g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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