AG000S29

1261869-07-1 | Benzaldehyde, 2-chloro-3,4-difluoro-

AG000S29

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CAS Number	1261869-07-1
Catalog Number	AG000S29(AGN-PC-0WAMVZ)
Chemical Name	Benzaldehyde, 2-chloro-3,4-difluoro-
IUPAC Name	2-chloro-3,4-difluorobenzaldehyde
InChI	InChI=1S/C7H3ClF2O/c8-6-4(3-11)1-2-5(9)7(6)10/h1-3H
InChI Key	XGJVFMUFGOGDCQ-UHFFFAOYSA-N
MDL Number	MFCD18415551
Molecular Formula	C7H3ClF2O
Molecular Weight	176.5479
SMILES	O=CC1=CC=C(F)C(F)=C1Cl
Synonyms	2-Chloro-3,4-difluorobenzaldehyde, 1261869-07-1, AK108381, SCHEMBL15514624, CTK8C3831, DTXSID00735244, KS-00000Q4P, ANW-70610, MFCD18415551, ZINC83351214, AKOS016007579, Benzaldehyde, 2-chloro-3,4-difluoro-, CS-W021635, DS-3916, FCH1177184, MP-1523, CJ-22105, AB0064172, AJ-125943, AX8232294, TC-159355, 4CH-011864, ST24022119, Z4054, C7H3ClF2O,

Complexity	153
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	175.984g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	176.547g/mol
Monoisotopic Mass	175.984g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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