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1349716-25-1 | 4-Chloro-3-isopropylbenzonitrile
CAS No: 1349716-25-1 Catalog No: AG01FENQ MDL No:MFCD19686194
Product Description
Catalog Number:
AG01FENQ
Chemical Name:
4-Chloro-3-isopropylbenzonitrile
CAS Number:
1349716-25-1
Molecular Formula:
C10H10ClN
Molecular Weight:
179.6461
MDL Number:
MFCD19686194
IUPAC Name:
4-chloro-3-propan-2-ylbenzonitrile
InChI:
InChI=1S/C10H10ClN/c1-7(2)9-5-8(6-12)3-4-10(9)11/h3-5,7H,1-2H3
InChI Key:
BVRMEMFIHSBBAC-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)C(C)C)Cl
Properties
Complexity:
191
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:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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