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189997-24-8 | Benzene, 1-chloro-3-[1,2-dibromo-1-(bromomethyl)ethyl]-
CAS No: 189997-24-8 Catalog No: AG002E73 MDL No:
Product Description
Catalog Number:
AG002E73
Chemical Name:
Benzene, 1-chloro-3-[1,2-dibromo-1-(bromomethyl)ethyl]-
CAS Number:
189997-24-8
Molecular Formula:
C9H8Br3Cl
Molecular Weight:
391.3248
IUPAC Name:
1-chloro-3-(1,2,3-tribromopropan-2-yl)benzene
InChI:
InChI=1S/C9H8Br3Cl/c10-5-9(12,6-11)7-2-1-3-8(13)4-7/h1-4H,5-6H2
InChI Key:
PGYMKIYIJLOUIG-UHFFFAOYSA-N
SMILES:
BrCC(c1cccc(c1)Cl)(CBr)Br
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
389.784g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
391.325g/mol
Monoisotopic Mass:
387.786g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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