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793695-85-9 | Benzene,2-(bromomethyl)-1-chloro-4-iodo-
CAS No: 793695-85-9 Catalog No: AG005KA0 MDL No:MFCD08236727
Product Description
Catalog Number:
AG005KA0
Chemical Name:
Benzene,2-(bromomethyl)-1-chloro-4-iodo-
CAS Number:
793695-85-9
Molecular Formula:
C7H5BrClI
Molecular Weight:
331.3761
MDL Number:
MFCD08236727
IUPAC Name:
2-(bromomethyl)-1-chloro-4-iodobenzene
InChI:
InChI=1S/C7H5BrClI/c8-4-5-3-6(10)1-2-7(5)9/h1-3H,4H2
InChI Key:
DFDCZEQSQMAKJJ-UHFFFAOYSA-N
SMILES:
BrCc1cc(I)ccc1Cl
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.831g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.375g/mol
Monoisotopic Mass:
329.831g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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