AG000B4R

1143502-70-8 | Benzaldehyde, 3-bromo-4,5-difluoro-

AG000B4R

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CAS Number	1143502-70-8
Catalog Number	AG000B4R(AGN-PC-0WAGFV)
Chemical Name	Benzaldehyde, 3-bromo-4,5-difluoro-
IUPAC Name	3-bromo-4,5-difluorobenzaldehyde
InChI	InChI=1S/C7H3BrF2O/c8-5-1-4(3-11)2-6(9)7(5)10/h1-3H
InChI Key	VQSVSYGPVVEMIN-UHFFFAOYSA-N
MDL Number	MFCD22056748
Molecular Formula	C7H3BrF2O
Molecular Weight	220.9989
SMILES	O=CC1=CC(F)=C(F)C(Br)=C1
Synonyms	3-Bromo-4,5-difluorobenzaldehyde, 1143502-70-8, AK208656, SCHEMBL19748916, KS-00000B3P, MFCD22056748, ZINC90411254, AKOS027256593, Benzaldehyde, 3-bromo-4,5-difluoro-, FCH1584592, DA-47772, DS-10160, PC501906, SY030663, FT-0735402, Y3712, 3-Bromo-4,5-difluorobenzaldehyde, AldrichCPR, MFCD22056748 (95%), Q-8577, C7H3BrF2O,

Complexity	153
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	219.934g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	221.001g/mol
Monoisotopic Mass	219.934g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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