3-Nitrophenyl N-Methylcarbamate - CAS 6132-21-4

Catalog:	BB076421
Product Name:	3-Nitrophenyl N-Methylcarbamate
CAS:	6132-21-4
Synonyms:	N-Methyl-carbamic Acid 3-Nitrophenyl Ester; Methyl-carbamic Acid 3-Nitrophenyl Ester; Methyl-carbamic Acid m-Nitrophenyl Ester; NSC 55614; m-Nitrophenyl N-Methylcarbamate

Technical Data

IUPAC Name:	(3-nitrophenyl) N-methylcarbamate
Description:	3-Nitrophenyl N-Methylcarbamate is an intermediate in the synthesis of Formetanate-d6, Hydrochloride (F692802). Formetanate is an insecticide and acaricide.
Molecular Weight:	196.16
Molecular Formula:	C8H8N2O4
Canonical SMILES:	CNC(=O)OC1=CC=CC(=C1)[N+](=O)[O-]
InChI:	InChI=1S/C8H8N2O4/c1-9-8(11)14-7-4-2-3-6(5-7)10(12)13/h2-5H,1H3,(H,9,11)
InChI Key:	AJJNBMROCIVVSU-UHFFFAOYSA-N
Solubility:	Dichloromethane
Appearance:	Off-white Solid
References:	Ong, K., et al. Food Chem., 55, 153 (1996); Hislop, R., et al. Protection Ecol., 3, 157 (1981).

Complexity:	226
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	196.04840674
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	196.04840674
Rotatable Bond Count:	2
Topological Polar Surface Area:	84.2Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4