AG000468

1013-04-3 | 1-Naphthalenecarboxylic acid, 4-chloro-

AG000468

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CAS Number	1013-04-3
Catalog Number	AG000468(AGN-PC-0NK4K9)
Chemical Name	1-Naphthalenecarboxylic acid, 4-chloro-
IUPAC Name	4-chloronaphthalene-1-carboxylic acid
InChI	InChI=1S/C11H7ClO2/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h1-6H,(H,13,14)
InChI Key	SHCCGXNIGGRSMX-UHFFFAOYSA-N
MDL Number	MFCD18252916
Molecular Formula	C11H7ClO2
Molecular Weight	206.6251
SMILES	OC(=O)C1=CC=C(Cl)C2=C1C=CC=C2
Synonyms	4-Chloro-1-naphthoic acid, 1013-04-3, 4-chloro-1-naphthalenecarboxylic acid, 4-Chloronaphthalene-1-carboxylic acid, 1-Naphthalenecarboxylic acid, 4-chloro-, 4-chloro-naphthalic acid, SCHEMBL4351479, CTK8C1150, DTXSID60508835, SHCCGXNIGGRSMX-UHFFFAOYSA-N, 0365AA, ANW-65967, MFCD18252916, ZINC39278608, AKOS016005636, CM10505, QC-1439, KS-000001M9, AJ-99595, AK-87297, AS-10032, DA-17701, TC-154712, 4CH-021719, FT-0751453, ST24043511, C11H7ClO2, ACN-051327, C2957,

Complexity	229
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	206.013g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	206.625g/mol
Monoisotopic Mass	206.013g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

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

Lot Number