AG00IIWN

952664-69-6 | 2-Bromo-5-fluoro-4-nitroaniline

AG00IIWN

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CAS Number	952664-69-6
Catalog Number	AG00IIWN(AGN-PC-0BUF3H)
Chemical Name	2-Bromo-5-fluoro-4-nitroaniline
IUPAC Name	2-bromo-5-fluoro-4-nitroaniline
InChI	InChI=1S/C6H4BrFN2O2/c7-3-1-6(10(11)12)4(8)2-5(3)9/h1-2H,9H2
InChI Key	PKDUOURYTVRBLI-UHFFFAOYSA-N
MDL Number	MFCD22381005
Molecular Formula	C6H4BrFN2O2
Molecular Weight	235.0106
SMILES	NC1=CC(F)=C([N+]([O-])=O)C=C1Br
Synonyms	2-Bromo-5-fluoro-4-nitroaniline, 952664-69-6, AK128101, Benzenamine, 2-bromo-5-fluoro-4-nitro-, SCHEMBL351739, DTXSID60726890, PKDUOURYTVRBLI-UHFFFAOYSA-N, CS-M2007, 3163AH, MFCD22381005, ZINC91302140, AKOS016013345, FCH1617080, SS-4708, BenzenaMine,2-broMo-5-fluoro-4-nitro-, PC500296, AB0072286, AJ-130268, AX8249892, ST24040148, C6H4BrFN2O2, ACN-055701,

Complexity	187
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	233.944g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	235.012g/mol
Monoisotopic Mass	233.944g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	71.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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