AG00BNX7

2157-39-3 | 5-Chloroisophthalic Acid

AG00BNX7

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CAS Number	2157-39-3
Catalog Number	AG00BNX7(AGN-PC-0JLP4K)
Chemical Name	5-Chloroisophthalic Acid
EC Number	218-468-1
IUPAC Name	5-chlorobenzene-1,3-dicarboxylic acid
InChI	InChI=1S/C8H5ClO4/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChI Key	PLPFTLXIQQYOMW-UHFFFAOYSA-N
MDL Number	MFCD18393556
Molecular Formula	C8H5ClO4
Molecular Weight	200.5759
SMILES	O=C(O)C1=CC(Cl)=CC(C(O)=O)=C1
Synonyms	5-Chloroisophthalic acid, 2157-39-3, 1,3-Benzenedicarboxylic acid, 5-chloro-, 5-chlorobenzene-1,3-dicarboxylic acid, 5-chloroisophthalicacid, AC1Q5TNC, AC1L2O0C, SCHEMBL69625, DTXSID5062217, CTK1A2043, KS-00000CXI, PLPFTLXIQQYOMW-UHFFFAOYSA-N, ZINC1841397, EINECS 218-468-1, MFCD18393556, AKOS017553019, 1,3-Benzenedicarboxylicacid, 5-chloro-, AK208759, AS-19919, SY027452, CS-0060192, Z1753, MFCD18393556 (95%), 5-chloro-isophthalic acid, C8H5ClO4, CID75086, AR-1G7842, ACN-041739, 22103-12-4,

Complexity	206
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	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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