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14804-31-0 | Benzene, 4-bromo-1-methoxy-2-methyl-
CAS No: 14804-31-0 Catalog No: AG001FEE MDL No:MFCD01321139
Product Description
Catalog Number:
AG001FEE
Chemical Name:
Benzene, 4-bromo-1-methoxy-2-methyl-
CAS Number:
14804-31-0
Molecular Formula:
C8H9BrO
Molecular Weight:
201.0605
MDL Number:
MFCD01321139
IUPAC Name:
4-bromo-1-methoxy-2-methylbenzene
InChI:
InChI=1S/C8H9BrO/c1-6-5-7(9)3-4-8(6)10-2/h3-5H,1-2H3
InChI Key:
UDLRGQOHGYWLCS-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1C)Br
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.984g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.063g/mol
Monoisotopic Mass:
199.984g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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