AG00EITN

Name: 5-Chloro-2-isocyanatobenzonitrile
Brand: Angene Chemical
SKU: AG00EITN

64411-72-9 | 5-Chloro-2-isocyanatobenzonitrile

AG00EITN

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CAS Number	64411-72-9
Catalog Number	AG00EITN(AGN-PC-0L0YKZ)
Chemical Name	5-Chloro-2-isocyanatobenzonitrile
IUPAC Name	5-chloro-2-isocyanatobenzonitrile
InChI	InChI=1S/C8H3ClN2O/c9-7-1-2-8(11-5-12)6(3-7)4-10/h1-3H
InChI Key	HGZKGYSDLSMMKA-UHFFFAOYSA-N
MDL Number	MFCD06660667
Molecular Formula	C8H3ClN2O
Molecular Weight	178.5752
SMILES	ClC1=CC(C#N)=C(N=C=O)C=C1
Synonyms	5-chloro-2-isocyanatobenzonitrile, 64411-72-9, Benzonitrile,5-chloro-2-isocyanato-, Benzonitrile, 5-chloro-2-isocyanato-, ACMC-209nly, C8H3ClN2O, AC1MY2J6, AC1Q3JL3, SCHEMBL10712015, CTK5C1208, 2-isocyanato-5-chlorobenzonitrile, DTXSID00397301, HGZKGYSDLSMMKA-UHFFFAOYSA-N, ZINC3885923, ANW-34868, MFCD06660667, AKOS000122545, MCULE-3976581307, NE32206, CJ-11168, TC-123613, V7093, 5-Chloro-2-isocyanatobenzonitrile, AldrichCPR, EN300-04017, ZINC03885923, CID3850136,

Complexity	251
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	177.993g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	178.575g/mol
Monoisotopic Mass	177.993g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	53.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited