AG002Q4W

2500-03-0 | Benzoic Acid, 2,5-Dichloro-4-Methoxy-

AG002Q4W

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CAS Number	2500-03-0
Catalog Number	AG002Q4W(AGN-PC-001XKW)
Chemical Name	Benzoic Acid, 2,5-Dichloro-4-Methoxy-
IUPAC Name	2,5-dichloro-4-methoxybenzoic acid
InChI	InChI=1S/C8H6Cl2O3/c1-13-7-3-5(9)4(8(11)12)2-6(7)10/h2-3H,1H3,(H,11,12)
InChI Key	VIMHPDKXVNPSTD-UHFFFAOYSA-N
MDL Number	MFCD00214270
Molecular Formula	C8H6Cl2O3
Molecular Weight	221.0374
SMILES	COC1=C(Cl)C=C(C(O)=O)C(Cl)=C1
Synonyms	2,5-dichloro-4-methoxybenzoic acid, 2500-03-0, Benzoic acid, 2,5-dichloro-4-methoxy-, 3,6-dichloroanisic acid, SCHEMBL2730020, CTK0J4465, DTXSID50562087, MFCD00214270, ZINC34328193, AKOS019066621, NE37615, AK431059, DS-18743,

Complexity	198
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	219.969g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	221.033g/mol
Monoisotopic Mass	219.969g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

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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