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198481-13-9 | Benzene, 1-(bromomethyl)-4-(2-chloroethoxy)-
CAS No: 198481-13-9 Catalog No: AG002BJP MDL No:
Product Description
Catalog Number:
AG002BJP
Chemical Name:
Benzene, 1-(bromomethyl)-4-(2-chloroethoxy)-
CAS Number:
198481-13-9
Molecular Formula:
C9H10BrClO
Molecular Weight:
249.5321
IUPAC Name:
1-(bromomethyl)-4-(2-chloroethoxy)benzene
InChI:
InChI=1S/C9H10BrClO/c10-7-8-1-3-9(4-2-8)12-6-5-11/h1-4H,5-7H2
InChI Key:
XVSPLOURGZKUKR-UHFFFAOYSA-N
SMILES:
ClCCOc1ccc(cc1)CBr
Properties
Complexity:
113
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.96g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.532g/mol
Monoisotopic Mass:
247.96g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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