AG003HFM

825-52-5 | N-HYDROXYBENZIMIDOYL CYANIDE

AG003HFM

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CAS Number	825-52-5
Catalog Number	AG003HFM(AGN-PC-0UMG45)
Chemical Name	N-HYDROXYBENZIMIDOYL CYANIDE
EC Number	212-546-9
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
MDL Number	MFCD00035803
Molecular Formula	C8H6N2O
Molecular Weight	146.1460
SMILES	c1ccc(cc1)C(=NO)C#N
Synonyms	(hydroxyimino)(phenyl)acetonitrile, 825-52-5, (Hydroxyimino)phenylacetonitrile, 2-hydroxyimino-2-phenylacetonitrile, Benzeneacetonitrile, .alpha.-(hydroxyimino)-, alpha-(hydroxyimino)benzeneacetonitrile, (2Z)-(Hydroxyimino)(phenyl)acetonitrile, (2E)-2-hydroxyimino-2-phenylacetonitrile, N-Hydroxybenzimidoyl cyanide, Oximinophenylacetonitrile, (Z)-N-hydroxybenzimidoyl cyanide, N-hydroxybenzenecarboximidoyl cyanide, EINECS 212-546-9, Phenylcyano ketone oxime, Benzeneacetonitrile, alpha-(hydroxyimino)-, AC1Q4QFU, AC1NWP18, SCHEMBL44323, DTXSID3061182, CHEBI:38842, MJCQFBKIFDVTTR-CSKARUKUSA-N, MJCQFBKIFDVTTR-NTMALXAHSA-N, MFCD00035803, Phenyl[(Z)-hydroxyimino]acetonitrile, ZINC89220133, AKOS006228685, AK115006, SC-12213, SC-20014, AX8075830, (2E)-2-hydroxyimino-2-phenyl-ethanenitrile, A840370, PHOXIM, 1-Methyl-3-phenylpropylamine, C8H6N2O, C8-H6-N2-O, KST-1A8667, AR-1A7688, ZINC05239373, CID5709518, 87368-00-1, 22148-77-2,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number