AG001018

132-87-6 | 2-Naphthalenesulfonic acid, 7-(benzoylamino)-4-hydroxy-

AG001018

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CAS Number	132-87-6
Catalog Number	AG001018(AGN-PC-0JL7OX)
Chemical Name	2-Naphthalenesulfonic acid, 7-(benzoylamino)-4-hydroxy-
EC Number	205-080-2
IUPAC Name	7-benzamido-4-hydroxynaphthalene-2-sulfonic acid
InChI	InChI=1S/C17H13NO5S/c19-16-10-14(24(21,22)23)9-12-8-13(6-7-15(12)16)18-17(20)11-4-2-1-3-5-11/h1-10,19H,(H,18,20)(H,21,22,23)
InChI Key	ZLHGMJOGMLVDFS-UHFFFAOYSA-N
MDL Number	MFCD00035838
Molecular Formula	C17H13NO5S
Molecular Weight	343.3538
SMILES	O=S(C1=CC(O)=C2C=CC(NC(C3=CC=CC=C3)=O)=CC2=C1)(O)=O
Synonyms	132-87-6, Benzoyl J acid, 7-benzamido-4-hydroxynaphthalene-2-sulfonic acid, 2-Naphthalenesulfonic acid, 7-(benzoylamino)-4-hydroxy-, 7-(Benzoylamino)-4-hydroxy-2-naphthalenesulfonic acid, 7-Benzamido-4-hydroxynaphthalene-2-sulphonic acid, W-108308, N-Benzoyl J acid, EINECS 205-080-2, AC1Q6WWM, 2-Naphthalenesulfonicacid,7-(benzoylamino)-4-hydroxy-, 7-(benzoylamino)-4-hydroxynaphthalene-2-sulfonic acid, SCHEMBL3830931, Jsp001995, DTXSID3059632, CTK0H8205, AC1L2752, ZINC1669796, MFCD00035838, AKOS022180748, AJ-29139, 2-Benzoylamino-5-naphthol-7-sulfonic acid, FT-0622744, KS-00000028, 7-benzamido-4-hydroxy-naphthalene-2-sulfonic acid, 2-Naphthalenesulfonicacid, 7-(benzoylamino)-4-hydroxy-, C17H13NO5S.Na, C17H13NO5S, C17-H13-N-O5-S.Na, CID67242, C17-H13-N-O5-S, EINECS 234-104-4, AR-1H2755, NSC 37171, Sodium 7-benzamido-4-hydroxynaphthalene-2-sulphonate, 2-Naphthalenesulfonic acid, 7-(benzoylamino)-4-hydroxy-, monosodium salt, 2-Naphthalenesulfonic acid, 7-(benzoylamino)-4-hydroxy-, monosodiumsalt, 4-Hydroxy-7-[(1-phenyl-methanoyl)-amino]-naphthalene-2-sulfonic acid, 2-Naphthalenesulfonic acid, 7-(benzoylamino)-4-hydroxy-, sodium salt (1:1), 10534-92-6, 13388-94-8,

Complexity	552
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	343.051g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	343.353g/mol
Monoisotopic Mass	343.051g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	112A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H317
Packing Group	\N
Precautionary statements	P261-P280
UN Code	\N

Certificate of Analysis

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