Home Nitriles 7-Chloroindole-3-acetonitrile

7-Chloroindole-3-acetonitrile

CAS No.:
221377-37-3
Catalog Number:
AG00BFHP
Molecular Formula:
C10H7ClN2
Molecular Weight:
190.6290
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Product Description
Catalog Number:
AG00BFHP
Chemical Name:
7-Chloroindole-3-acetonitrile
CAS Number:
221377-37-3
Molecular Formula:
C10H7ClN2
Molecular Weight:
190.6290
MDL Number:
MFCD09924257
IUPAC Name:
2-(7-chloro-1H-indol-3-yl)acetonitrile
InChI:
InChI=1S/C10H7ClN2/c11-9-3-1-2-8-7(4-5-12)6-13-10(8)9/h1-3,6,13H,4H2
InChI Key:
ZQEMFYCURAAFLI-UHFFFAOYSA-N
SMILES:
Clc1cccc2c1[nH]cc2CC#N
Properties
Complexity:
232  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.03g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
190.63g/mol
Monoisotopic Mass:
190.03g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties