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12002-48-1

12002-48-1 | Benzene, trichloro-

CAS No: 12002-48-1 Catalog No: AG000Q3Q MDL No:MFCD00000537

Product Description

Catalog Number:
AG000Q3Q
Chemical Name:
Benzene, trichloro-
CAS Number:
12002-48-1
Molecular Formula:
C6H3Cl3
Molecular Weight:
181.4470
MDL Number:
MFCD00000537
IUPAC Name:
1,2,3-trichlorobenzene
InChI:
InChI=1S/C6H3Cl3/c7-4-2-1-3-5(8)6(4)9/h1-3H
InChI Key:
RELMFMZEBKVZJC-UHFFFAOYSA-N
SMILES:
Clc1c(Cl)cccc1Cl
UNII:
NUR9777IK4
NSC Number:
43432
RTECS Number:
DC2095000

Properties

Complexity:
84.3  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.93g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.44g/mol
Monoisotopic Mass:
179.93g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  

Literature

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