AG01BFEJ

1795503-88-6 | [3-Nitro-5-(trifluoromethyl)phenyl]methanamine hydrochloride

AG01BFEJ

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CAS Number	1795503-88-6
Catalog Number	AG01BFEJ
Chemical Name	[3-Nitro-5-(trifluoromethyl)phenyl]methanamine hydrochloride
IUPAC Name	[3-nitro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride
InChI	InChI=1S/C8H7F3N2O2.ClH/c9-8(10,11)6-1-5(4-12)2-7(3-6)13(14)15;/h1-3H,4,12H2;1H
InChI Key	UICLGORQSFYWCI-UHFFFAOYSA-N
MDL Number	MFCD28118562
Molecular Formula	C8H8ClF3N2O2
Molecular Weight	256.6095
SMILES	Cl.[N+](=O)([O-])C=1C=C(C=C(C1)C(F)(F)F)CN
Synonyms	[3-nitro-5-(trifluoromethyl)phenyl]methanamine hydrochloride, 1795503-88-6, Z1889902492, (3-(Trifluoromethyl)-5-nitrophenyl)methanamine hydrochloride,

Complexity	239
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	256.023g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	256.609g/mol
Monoisotopic Mass	256.023g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	71.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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