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CHEMHERE CHEM92252

CAS No.:
945541-58-2
Catalog Number:
AG01E3M6
Molecular Formula:
C10H10ClN
Molecular Weight:
179.6461
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Product Description
Catalog Number:
AG01E3M6
Chemical Name:
CHEMHERE CHEM92252
CAS Number:
945541-58-2
Molecular Formula:
C10H10ClN
Molecular Weight:
179.6461
MDL Number:
MFCD27934197
IUPAC Name:
2-(3-chlorophenyl)butanenitrile
InChI:
InChI=1S/C10H10ClN/c1-2-8(7-12)9-4-3-5-10(11)6-9/h3-6,8H,2H2,1H3
InChI Key:
YOBGVHRGAPSWLG-UHFFFAOYSA-N
SMILES:
CCC(c1cccc(c1)Cl)C#N
Properties
Complexity:
182  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.05g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.647g/mol
Monoisotopic Mass:
179.05g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties