AG0014Z2

1214379-56-2 | 4-(Difluoromethoxy)-3-fluorobenzaldehyde

AG0014Z2

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CAS Number	1214379-56-2
Catalog Number	AG0014Z2(AGN-PC-0WCYWP)
Chemical Name	4-(Difluoromethoxy)-3-fluorobenzaldehyde
IUPAC Name	4-(difluoromethoxy)-3-fluorobenzaldehyde
InChI	InChI=1S/C8H5F3O2/c9-6-3-5(4-12)1-2-7(6)13-8(10)11/h1-4,8H
InChI Key	BBQMURAQGGKHNN-UHFFFAOYSA-N
MDL Number	MFCD11847153
Molecular Formula	C8H5F3O2
Molecular Weight	190.1193
SMILES	FC(OC1=C(F)C=C(C=O)C=C1)F
Synonyms	1214379-56-2, 4-(DIFLUOROMETHOXY)-3-FLUOROBENZALDEHYDE, 3-FLUORO-4-DIFLUOROMETHOXYBENZALDEHYD, SCHEMBL17113012, DTXSID90673308, CL8907, MFCD11847153, ZINC47203352, 4-Difluoromethoxy-3-fluorobenzaldehyde, AKOS027339570, 3-fluoro-4-(difluoromethoxy)benzaldehyde, AS-46135, SC-31631, AB0087527, Benzaldehyde, 4-(difluoromethoxy)-3-fluoro-, X-3601, Triptycene, 477-75-8,

Complexity	175
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	190.024g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	190.121g/mol
Monoisotopic Mass	190.024g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P261-P280-P305+P351+P338-P304+P340-P405-P501
UN Code

Certificate of Analysis

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