AG0033QJ

15268-31-2 | 3-Isocyanatopyridine

AG0033QJ

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CAS Number	15268-31-2
Catalog Number	AG0033QJ(AGN-PC-0KKNZQ)
Chemical Name	3-Isocyanatopyridine
IUPAC Name	3-isocyanatopyridine
InChI	InChI=1S/C6H4N2O/c9-5-8-6-2-1-3-7-4-6/h1-4H
InChI Key	SHVVSKCXWMEDRW-UHFFFAOYSA-N
MDL Number	MFCD01075747
Molecular Formula	C6H4N2O
Molecular Weight	120.1088
SMILES	N(=C=O)C=1C=NC=CC1
Synonyms	3-isocyanatopyridine, 15268-31-2, Pyridine-3-isocyanate, Pyridine, 3-isocyanato-, 3-Pyridyl isocyanate, 3-isocyanato-pyridine, 3-pyridylisocyanate, pyridin-3-isocyanate, 3-iso-cyanatopyridine, pyridine 3-isocyanate, PubChem14441, ACMC-1BPTX, AC1MC2T2, SCHEMBL241301, CTK0H1960, DTXSID00375184, SHVVSKCXWMEDRW-UHFFFAOYSA-N, pyridine-3-isocyanate, AldrichCPR, ZINC4244934, MFCD01075747, SBB069001, AKOS000194874, AB08187, FS-5999, RP00664, TRA-0190168, CJ-11683, SC-48402, AB0041568, AB1003319, TX-010813, FT-0654787, Y9342, A809344, J-008945, J-512717, S02-0166, null, C6H4N2O, ZINC04244934, CID2760493, H161,

Complexity	129
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	120.032g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	120.111g/mol
Monoisotopic Mass	120.032g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	42.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H317-H319-H331-H334
Packing Group	Ⅲ
Precautionary statements	P261-P264-P270-P271-P272-P280-P285-P302+P352-P304+P340-P305+P351+P338-P311-P321-P330-P333+P313-P337+P313-P363-P403+P233-P405-P501
UN Code	UN 2811

Certificate of Analysis

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