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2601-89-0 | Propanenitrile, 2,3-dichloro-
CAS No: 2601-89-0 Catalog No: AG002RE0 MDL No:MFCD00013809
Product Description
Catalog Number:
AG002RE0
Chemical Name:
Propanenitrile, 2,3-dichloro-
CAS Number:
2601-89-0
Molecular Formula:
C3H3Cl2N
Molecular Weight:
123.9686
MDL Number:
MFCD00013809
IUPAC Name:
2,3-dichloropropanenitrile
InChI:
InChI=1S/C3H3Cl2N/c4-1-3(5)2-6/h3H,1H2
InChI Key:
RJJDLPQZNANQDQ-UHFFFAOYSA-N
SMILES:
ClC(C#N)CCl
EC Number:
220-007-4
NSC Number:
38447
Properties
Complexity:
72.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
122.964g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
123.964g/mol
Monoisotopic Mass:
122.964g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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