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701-94-0 | 2-BROMO-4-(CHLOROMETHYL)-1-METHOXYBENZENE
CAS No: 701-94-0 Catalog No: AG005KPV MDL No:MFCD02856712
Product Description
Catalog Number:
AG005KPV
Chemical Name:
2-BROMO-4-(CHLOROMETHYL)-1-METHOXYBENZENE
CAS Number:
701-94-0
Molecular Formula:
C8H8BrClO
Molecular Weight:
235.5055
MDL Number:
MFCD02856712
IUPAC Name:
2-bromo-4-(chloromethyl)-1-methoxybenzene
InChI:
InChI=1S/C8H8BrClO/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4H,5H2,1H3
InChI Key:
LGROUIFCRUBNIJ-UHFFFAOYSA-N
SMILES:
ClCc1ccc(c(c1)Br)OC
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
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