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7398-44-9 | Benzene,1-(chloromethyl)-4-(dichloromethyl)-
CAS No: 7398-44-9 Catalog No: AG005IQA MDL No:
Product Description
Catalog Number:
AG005IQA
Chemical Name:
Benzene,1-(chloromethyl)-4-(dichloromethyl)-
CAS Number:
7398-44-9
Molecular Formula:
C8H7Cl3
Molecular Weight:
209.5002
IUPAC Name:
1-(chloromethyl)-4-(dichloromethyl)benzene
InChI:
InChI=1S/C8H7Cl3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,8H,5H2
InChI Key:
VQJFMEVGEQWOFW-UHFFFAOYSA-N
SMILES:
ClCc1ccc(cc1)C(Cl)Cl
EC Number:
230-992-2
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.961g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.494g/mol
Monoisotopic Mass:
207.961g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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