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6574-99-8 | 3,4-Dichlorobenzonitrile
CAS No: 6574-99-8 Catalog No: AG003IG4 MDL No:MFCD00016379
Product Description
Catalog Number:
AG003IG4
Chemical Name:
3,4-Dichlorobenzonitrile
CAS Number:
6574-99-8
Molecular Formula:
C7H3Cl2N
Molecular Weight:
172.0114
MDL Number:
MFCD00016379
IUPAC Name:
3,4-dichlorobenzonitrile
InChI:
InChI=1S/C7H3Cl2N/c8-6-2-1-5(4-10)3-7(6)9/h1-3H
InChI Key:
KUWBYWUSERRVQP-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)Cl)Cl
EC Number:
229-494-8
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.964g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.008g/mol
Monoisotopic Mass:
170.964g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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