AG003H47

7468-67-9 | 2-Cyanobenzaldehyde

AG003H47

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CAS Number	7468-67-9
Catalog Number	AG003H47(AGN-PC-0WA6KN)
Chemical Name	2-Cyanobenzaldehyde
IUPAC Name	2-formylbenzonitrile
InChI	InChI=1S/C8H5NO/c9-5-7-3-1-2-4-8(7)6-10/h1-4,6H
InChI Key	QVTPWONEVZJCCS-UHFFFAOYSA-N
MDL Number	MFCD00017503
Molecular Formula	C8H5NO
Molecular Weight	131.1314
NSC Number	400131
SMILES	C1=CC=CC(=C1C#N)C=O
Synonyms	2-Cyanobenzaldehyde, 7468-67-9, 2-Formylbenzonitrile, o-Cyanobenzaldehyde, Benzonitrile, 2-formyl-, cyanobenzaldehyde, MFCD00017503, 2-Cyanobenzaldehyde, 98%, QVTPWONEVZJCCS-UHFFFAOYSA-N, 2-formylbenzenecarbonitrile, 2-cyano-benzaldehyde, 2-formyl-benzonitrile, NSC 400131, PubChem7409, 2-Formylbenzonitrile #, ACMC-1BLGC, AC1L2QCC, AC1Q4RHL, AC1Q6PQO, SCHEMBL98563, KSC377O8T, ORTHO-CYANOBENZALDEHYDE, CTK2H7789, KS-00000JOA, DTXSID80225653, ACN-S003100, ACT00670, ALBB-017978, ZINC1499726, ANW-36517, BBL015966, NSC400131, SBB059365, STL163938, AKOS000120661, AC-7338, AN-9085, CS-W004147, MCULE-5787370913, NSC-400131, PS-3641, RP19953, RTC-030688, TRA0060481, VZ24456, AJ-26405, AK-44087, BR-44087, CJ-23719, P480, SC-06609, SY005781, AB0017034, AB1000577, DB-006097, ST2409950, TC-030688, TL8005138, AM20060720, FT-0080458, FT-0602754, ST51044394, MFCD00017503 (98%), M-3435, 468C679, I01-0703, J-509204, InChI=1/C8H5NO/c9-5-7-3-1-2-4-8(7)6-10/h1-4,6, C8H5NO, C8-H5-N-O, AR-1K9067, c0444, CID101209, 2-Cyanobenzaldehyde, 98% - 1G 1g, E 383, 529-20-4, 67893-47-4,

Complexity	167
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	131.037g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	131.134g/mol
Monoisotopic Mass	131.037g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	40.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 3439

Certificate of Analysis

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