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825-52-5,MFCD00035803
Catalog No.:AA003HCU
825-52-5 | N-Hydroxybenzimidoyl cyanide
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1g
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Technical Information
Catalog Number:
AA003HCU
Chemical Name:
N-Hydroxybenzimidoyl cyanide
CAS Number:
825-52-5
Molecular Formula:
C8H6N2O
Molecular Weight:
146.1460
MDL Number:
MFCD00035803
IUPAC Name:
(2E)-2-hydroxyimino-2-phenylacetonitrile
InChI:
InChI=1S/C8H6N2O/c9-6-8(10-11)7-4-2-1-3-5-7/h1-5,11H/b10-8-
InChI Key:
MJCQFBKIFDVTTR-NTMALXAHSA-N
SMILES:
O/N=C(\c1ccccc1)/C#N
EC Number:
212-546-9
Properties
Computed Properties
 
Complexity:
195  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
146.048g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
146.149g/mol
Monoisotopic Mass:
146.048g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
56.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

Synonyms
 
(hydroxyimino)(phenyl)acetonitrile 
825-52-5 
(Z)-N-hydroxybenzimidoyl cyanide 
N-hydroxybenzenecarboximidoyl cyanide 
EINECS 212-546-9 
Phenylcyano ketone oxime 
Benzeneacetonitrile, alpha-(hydroxyimino)- 
AC1Q4QFU 
AC1NWP18 
SCHEMBL44323 
DTXSID3061182 
CHEBI:38842 
(Hydroxyimino)phenylacetonitrile 
MJCQFBKIFDVTTR-CSKARUKUSA-N 
MJCQFBKIFDVTTR-NTMALXAHSA-N 
MFCD00035803 
Phenyl[(Z)-hydroxyimino]acetonitrile 
ZINC89220133 
AKOS006228685 
AK115006 
SC-12213 
SC-20014 
AX8075830 
2-hydroxyimino-2-phenylacetonitrile 
(2E)-2-hydroxyimino-2-phenyl-ethanenitrile 
A840370 
PHOXIM 
1-Methyl-3-phenylpropylamine 
C8H6N2O 
C8-H6-N2-O 
KST-1A8667 
AR-1A7688 
ZINC05239373 
CID5709518 
Benzeneacetonitrile, .alpha.-(hydroxyimino)- 
87368-00-1 
22148-77-2 
alpha-(hydroxyimino)benzeneacetonitrile 
(2Z)-(Hydroxyimino)(phenyl)acetonitrile 
(2E)-2-hydroxyimino-2-phenylacetonitrile 
N-Hydroxybenzimidoyl cyanide 
Oximinophenylacetonitrile 
Literature
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