AG004534

887267-84-7 | 5-Amino-6-bromo-2,2-difluorobenzodioxole

AG004534

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CAS Number	887267-84-7
Catalog Number	AG004534(AGN-PC-05W5B2)
Chemical Name	5-Amino-6-bromo-2,2-difluorobenzodioxole
IUPAC Name	6-bromo-2,2-difluoro-1,3-benzodioxol-5-amine
InChI	InChI=1S/C7H4BrF2NO2/c8-3-1-5-6(2-4(3)11)13-7(9,10)12-5/h1-2H,11H2
InChI Key	ZKILVLUCVYGVMI-UHFFFAOYSA-N
MDL Number	MFCD04972651
Molecular Formula	C7H4BrF2NO2
Molecular Weight	252.0130
SMILES	NC1=C(Br)C=C(OC(F)(F)O2)C2=C1
Synonyms	887267-84-7, 6-Bromo-2,2-difluorobenzo[d][1,3]dioxol-5-amine, 5-Amino-6-bromo-2,2-difluorobenzodioxole, 6-Bromo-2,2-difluoro-1,3-benzodioxol-5-amine, AK-90647, C7H4BrF2NO2, SCHEMBL3342338, CTK8B6600, KS-00000PYY, DTXSID10654235, ZINC2540115, ZX-AP005738, 4571AC, ANW-53728, MFCD04972651, PC1978, SBB101035, AKOS015888968, FCH1328168, AJ-38994, DS-17081, AX8229294, ST2406409, TC-071490, 2-Bromo-4,5-(difluoromethylenedioxy)aniline, B-5641, 5-AMINO-6-BROMO-2,2-DIFLOUOROBENZODIOXOLE, 6-bromo-2,2-difluoro-2H-1,3-benzodioxol-5-amine, 6-bromo-2,2-difluorobenzo[d]1,3-dioxolane-5-ylamine, I01-16250, 4-Pyridinecarboxylic acid,2-(dimethylamino)-,methyl ester, 26156-52-5,

Complexity	217
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	250.939g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	252.015g/mol
Monoisotopic Mass	250.939g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	44.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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