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Home > Bromides > 1044256-94-1
1044256-94-1 | Benzene, 1-(bromomethyl)-3-chloro-2-methoxy-
CAS No: 1044256-94-1 Catalog No: AG01FAJB MDL No:
Product Description
Catalog Number:
AG01FAJB
Chemical Name:
Benzene, 1-(bromomethyl)-3-chloro-2-methoxy-
CAS Number:
1044256-94-1
Molecular Formula:
C8H8BrClO
Molecular Weight:
235.5055
IUPAC Name:
1-(bromomethyl)-3-chloro-2-methoxybenzene
InChI:
InChI=1S/C8H8BrClO/c1-11-8-6(5-9)3-2-4-7(8)10/h2-4H,5H2,1H3
InChI Key:
PUIPBPXMJUKBQA-UHFFFAOYSA-N
SMILES:
COc1c(CBr)cccc1Cl
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.945g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.505g/mol
Monoisotopic Mass:
233.945g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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