AG001130

132740-44-4 | Benzene, 1-fluoro-2-(isocyanatomethyl)-

AG001130

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CAS Number	132740-44-4
Catalog Number	AG001130(AGN-PC-0JU8L8)
Chemical Name	Benzene, 1-fluoro-2-(isocyanatomethyl)-
IUPAC Name	1-fluoro-2-(isocyanatomethyl)benzene
InChI	InChI=1S/C8H6FNO/c9-8-4-2-1-3-7(8)5-10-6-11/h1-4H,5H2
InChI Key	UKESSRSRKDVNBC-UHFFFAOYSA-N
MDL Number	MFCD02093691
Molecular Formula	C8H6FNO
Molecular Weight	151.1377
SMILES	FC1=CC=CC=C1CN=C=O
Synonyms	2-Fluorobenzyl isocyanate, 132740-44-4, 1-fluoro-2-(isocyanatomethyl)benzene, 2-Fluorobenzylisocyanate, benzene, 1-fluoro-2-(isocyanatomethyl)-, AC1LD7D4, AC1Q4L7M, SCHEMBL6049, ACMC-1C1G6, 2-Fluorobenzyl isocyanate, 97%, CTK4B8085, DTXSID10349199, UKESSRSRKDVNBC-UHFFFAOYSA-N, 1-fluoro-2-isocyanatomethyl-benzene, ZINC2389317, MFCD02093691, AKOS009156579, 1-fluoranyl-2-(isocyanatomethyl)benzene, BP-20264, DB-042133, RT-007804, FT-0643183, A806487, J-006215, InChI=1/C8H6FNO/c9-8-4-2-1-3-7(8)5-10-6-11/h1-4H,5H, CID643498,

Complexity	166
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	151.043g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	151.14g/mol
Monoisotopic Mass	151.043g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	29.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1(3)
Hazard statements	H226-H315-H317-H319-H334-H335
Packing Group	Ⅱ
Precautionary statements	P261-P280-P305+P351+P338-P342+P311
UN Code	UN 3080

Certificate of Analysis

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