AG001MN1

150444-95-4 | Benzoic acid, 3-chloro-4,5-difluoro-

AG001MN1

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CAS Number	150444-95-4
Catalog Number	AG001MN1(AGN-PC-00331T)
Chemical Name	Benzoic acid, 3-chloro-4,5-difluoro-
IUPAC Name	3-chloro-4,5-difluorobenzoic acid
InChI	InChI=1S/C7H3ClF2O2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,(H,11,12)
InChI Key	RRJYBDSJDKWHOS-UHFFFAOYSA-N
MDL Number	MFCD04972707
Molecular Formula	C7H3ClF2O2
Molecular Weight	192.5473
SMILES	OC(=O)C1=CC(Cl)=C(F)C(F)=C1
Synonyms	3-Chloro-4,5-difluorobenzoic acid, 150444-95-4, 3-Chloro-4,5-difluoro-benzoic acid, Benzoic acid, 3-chloro-4,5-difluoro-, 3-chloro -4,5-difluorobenzoic acid, Benzoic acid,3-chloro-4,5-difluoro-, AK-33397, PubChem4741, ACMC-1C6UY, Intermediates-ZCF02150, SCHEMBL2431319, CTK4C6645, KS-00000NJR, DTXSID20565924, RRJYBDSJDKWHOS-UHFFFAOYSA-N, 5-chloro-3,4-difluorobenzoic acid, ACT11968, ZINC2540167, ZX-AP011572, ANW-72586, CL8080, FCH921208, MFCD04972707, PC2592, SBB064324, AKOS005063904, AS01822, CC-1148, CM10074, AJ-39012, AN-12479, DS-12273, SC-49916, AB0043829, AX8085761, TX-016713, FT-0652691, ST24042023, Z1789, A19971, X-3390, I01-4624, C7H3ClF2O2, 3-CHLORO-4,5-DIFLUOROBENZOICACID,

Complexity	188
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	191.979g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	192.546g/mol
Monoisotopic Mass	191.979g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

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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