AG00BC1U

2845-85-4 | 4-Chloroisophthalic acid

AG00BC1U

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CAS Number	2845-85-4
Catalog Number	AG00BC1U(AGN-PC-0JMJRJ)
Chemical Name	4-Chloroisophthalic acid
IUPAC Name	4-chlorobenzene-1,3-dicarboxylic acid
InChI	InChI=1S/C8H5ClO4/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChI Key	APLYBKHRTXFIBT-UHFFFAOYSA-N
MDL Number	MFCD12027303
Molecular Formula	C8H5ClO4
Molecular Weight	200.5759
NSC Number	409493
SMILES	O=C(O)C1=CC=C(Cl)C(C(O)=O)=C1
Synonyms	4-Chloroisophthalic acid, 2845-85-4, 4-chlorobenzene-1,3-dicarboxylic acid, 1,3-Benzenedicarboxylic acid, 4-chloro-, 4-chloro-isophthalic acid, Isophthalic acid, 4-chloro-, AC1L8B9L, SCHEMBL69880, CTK1A4814, DTXSID00325260, APLYBKHRTXFIBT-UHFFFAOYSA-N, ALBB-007088, ZINC1601965, ZX-AN006707, MFCD12027303, NSC409493, STK504286, AKOS005171635, FCH1409479, NSC-409493, 1,3-Benzenedicarboxylicacid, 4-chloro-, AK309480, TR-012555, FT-0679298, T2219, 845C854, I04-4737, 4-chloroisophthalicacid, 1, 4-chloro-, CID349658,

Complexity	228
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	199.988g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	200.574g/mol
Monoisotopic Mass	199.988g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	74.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

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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