AG000OMA

1257535-06-0 | 1,2-Benzenediamine, 3-bromo-4-fluoro-

AG000OMA

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CAS Number	1257535-06-0
Catalog Number	AG000OMA(AGN-PC-09SH36)
Chemical Name	1,2-Benzenediamine, 3-bromo-4-fluoro-
IUPAC Name	3-bromo-4-fluorobenzene-1,2-diamine
InChI	InChI=1S/C6H6BrFN2/c7-5-3(8)1-2-4(9)6(5)10/h1-2H,9-10H2
InChI Key	TVBIACHAJVSZDK-UHFFFAOYSA-N
MDL Number	MFCD18071059
Molecular Formula	C6H6BrFN2
Molecular Weight	205.0276
SMILES	NC1=CC=C(F)C(Br)=C1N
Synonyms	3-Bromo-4-fluorobenzene-1,2-diamine, 1257535-06-0, 3-Bromo-1,2-diamino-4-fluorobenzene, 3-Bromo-4-fluoro-benzene-1,2-diamine, 1,2-Benzenediamine, 3-bromo-4-fluoro-, SCHEMBL15231722, DTXSID70694132, TVBIACHAJVSZDK-UHFFFAOYSA-N, KS-00003R7F, 2190AJ, MFCD18071059, ZINC71790049, 1-Bromo-2,3-diamino-6-fluorobenzene, AKOS024262430, PS-8117, AK158332, AJ-118608, 3-Bromo-4-fluoro-benzene-1,2-diamine, AldrichCPR, C6H6BrFN2, K-1900, 3-bromo-4-fluorobenzene-1,2-diamine, 95% - 1G 1g,

Complexity	122
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	203.97g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	205.03g/mol
Monoisotopic Mass	203.97g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	52A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H332
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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