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13101-40-1 | Benzene, 1-bromo-3-chloro-5-iodo-
CAS No: 13101-40-1 Catalog No: AG000VBW MDL No:MFCD07778998
Product Description
Catalog Number:
AG000VBW
Chemical Name:
Benzene, 1-bromo-3-chloro-5-iodo-
CAS Number:
13101-40-1
Molecular Formula:
C6H3BrClI
Molecular Weight:
317.3495
MDL Number:
MFCD07778998
IUPAC Name:
1-bromo-3-chloro-5-iodobenzene
InChI:
InChI=1S/C6H3BrClI/c7-4-1-5(8)3-6(9)2-4/h1-3H
InChI Key:
RSGRRCWDCXLEHS-UHFFFAOYSA-N
SMILES:
Clc1cc(Br)cc(c1)I
Properties
Complexity:
99.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.815g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.348g/mol
Monoisotopic Mass:
315.815g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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