4-(Chloromethyl)benzonitrile

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  • 874-86-2
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  • >97.0%(GC)(T)
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Catalog Number
ACM874862
Product Name
4-(Chloromethyl)benzonitrile
Structure
Structure
CAS
874-86-2
Category
Heterocyclic Organic Compound
IUPAC Name
4-(chloromethyl)benzonitrile
Molecular Weight
151.59g/mol
Molecular Formula
C8H6ClN
Canonical SMILES
C1=CC(=CC=C1CCl)C#N
InChI
InChI=1S/C8H6ClN/c9-5-7-1-3-8(6-10)4-2-7/h1-4H,5H2
InChI Key
LOQLDQJTSMKBJU-UHFFFAOYSA-N
Complexity
139
Covalently-Bonded Unit Count
1
EC Number
212-869-5
Exact Mass
151.018877g/mol
Formal Charge
0
H-Bond Acceptor
1
H-Bond Donor
0
Heavy Atom Count
10
Monoisotopic Mass
151.018877g/mol
NSC Number
44855;6307
Rotatable Bond Count
1
XLogP3
2
MSDS
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COA
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Spec Sheet
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