AG00HXWS

1517611-20-9 | 2-Bromo-3,4-difluorobenzonitrile

AG00HXWS

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CAS Number	1517611-20-9
Catalog Number	AG00HXWS(AGN-PC-0WG382)
Chemical Name	2-Bromo-3,4-difluorobenzonitrile
IUPAC Name	2-bromo-3,4-difluorobenzonitrile
InChI	InChI=1S/C7H2BrF2N/c8-6-4(3-11)1-2-5(9)7(6)10/h1-2H
InChI Key	AJSCMTNRSYZUJK-UHFFFAOYSA-N
MDL Number	MFCD22490573
Molecular Formula	C7H2BrF2N
Molecular Weight	217.9983
SMILES	N#CC1=CC=C(F)C(F)=C1Br
Synonyms	2-bromo-3,4-difluorobenzonitrile, 1517611-20-9, SCHEMBL19898945, MFCD22490573, ZINC75927323, FCH2277482, AK342579, DS-12365, PC501846, EN300-177569,

Complexity	188
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	216.934g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	218.001g/mol
Monoisotopic Mass	216.934g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	23.8A^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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