CAS
94199-91-4 Purity
96%
94199-91-4 Purity
96%
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3-(2-Chlorophenyl)-1-triazene-1-carbonitrile
CAS
94199-94-7
Catalog Number
ACM94199947
Category
Other Products
Molecular Weight
180.594400 [g/mol]
Molecular Formula
C7H5ClN4
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Specification
Synonyms
EINECS 303-470-8, 3-(2-Chlorophenyl)-1-triazene-1-carbonitrile, 1-Triazene-1-carbonitrile, 3-(2-chlorophenyl)-, 94199-94-7
IUPAC Name
[(2-chlorophenyl)diazenyl]cyanamide
Canonical SMILES
C1=CC=C(C(=C1)N=NNC#N)Cl
InChI Key
YHBQBRUPXPUFFY-UHFFFAOYSA-N
Boiling Point
256.5ºC at 760mmHg
Flash Point
108.9ºC
Density
1.31g/cm³
EC Number
303-470-8
Exact Mass
180.02000
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of 3-(2-Chlorophenyl)-1-triazene-1-carbonitrile?
The molecular formula is C7H5ClN4.
When was the PubChem CID 44145582 created and modified?
It was created on 2009-08-20 and modified on 2023-12-30.
What is the IUPAC name of 3-(2-Chlorophenyl)-1-triazene-1-carbonitrile?
The IUPAC name is [(2-chlorophenyl)diazenyl]cyanamide.
What is the Canonical SMILES of 3-(2-Chlorophenyl)-1-triazene-1-carbonitrile?
The Canonical SMILES is C1=CC=C(C(=C1)N=NNC#N)Cl.
What is the InChIKey of 3-(2-Chlorophenyl)-1-triazene-1-carbonitrile?
The InChIKey is YHBQBRUPXPUFFY-UHFFFAOYSA-N.
What is the CAS number for 3-(2-Chlorophenyl)-1-triazene-1-carbonitrile?
The CAS number is 94199-94-7.
What is the molecular weight of 3-(2-Chlorophenyl)-1-triazene-1-carbonitrile?
The molecular weight is 180.59 g/mol.
How many hydrogen bond donor counts does 3-(2-Chlorophenyl)-1-triazene-1-carbonitrile have?
It has one hydrogen bond donor count.
What is the XLogP3 value of 3-(2-Chlorophenyl)-1-triazene-1-carbonitrile?
The XLogP3 value is 2.9.
Is 3-(2-Chlorophenyl)-1-triazene-1-carbonitrile a canonicalized compound?
Yes, it is a canonicalized compound.
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CAS
94199-95-8 Purity
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94199-95-8 Purity
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CAS
94199-96-9 Purity
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94199-96-9 Purity
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CAS
94199-97-0 Purity
96%
94199-97-0 Purity
96%
