AG00CLEJ

327092-81-9 | 3-(3,4-Dihydroisoquinolin-2(1H)-ylsulphonyl)benzoic acid

AG00CLEJ

SDS

COA

TIP This product is typically in stock.Please contact us for quotation.

Request For Quotation

• mg
• g
• kg
• ml
• L

无数据

• mg
• g
• kg
• ml
• L

无数据

无数据

Inquire

CAS Number	327092-81-9
Catalog Number	AG00CLEJ(AGN-PC-0WBE2R)
Chemical Name	3-(3,4-Dihydroisoquinolin-2(1H)-ylsulphonyl)benzoic acid
IUPAC Name	3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid
InChI	InChI=1S/C16H15NO4S/c18-16(19)13-6-3-7-15(10-13)22(20,21)17-9-8-12-4-1-2-5-14(12)11-17/h1-7,10H,8-9,11H2,(H,18,19)
InChI Key	ZGVIUMKHTXKKOX-UHFFFAOYSA-N
MDL Number	MFCD01197550
Molecular Formula	C16H15NO4S
Molecular Weight	317.3596
SMILES	O=C(O)C1=CC=CC(S(=O)(N2CC3=C(C=CC=C3)CC2)=O)=C1
Synonyms	327092-81-9, 3-((3,4-Dihydroisoquinolin-2(1H)-yl)sulfonyl)benzoic acid, AKR1C3-IN-1, 3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acid, 3-(3,4-Dihydro-1H-isoquinoline-2-sulfonyl)-benzoic acid, CHEMBL1566492, 3-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzoic acid, 3-(3,4-Dihydroisoquinolin-2(1H)-ylsulphonyl)benzoic acid, 3-(2-1,2,3,4-tetrahydroisoquinolylsulfonyl)benzoic acid, ZERO/006075, AC1LEIZA, AC1Q73IW, TimTec1_006094, Oprea1_065304, MLS001204143, SCHEMBL2011206, CTK7I8757, DTXSID20351900, ZGVIUMKHTXKKOX-UHFFFAOYSA-N, HMS1551E22, HMS2843O18, ZINC106367, ALBB-025107, BDBM50396676, CCG-17942, MFCD01197550, SBB002606, STK664075, AKOS000114672, CS-7878, MCULE-8354324659, NCGC00390451-01, AJ-11228, AK134228, BAS 05946210, SMR000523422, AB0195483, HY-107379, ST4083999, EU-0040696, R4315, EN300-00303, AB00032146-01, Z53035377, 3-(3,4-dihydro-1H-isoquinoline-2-sulfonyl)benzoic acid, 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid, Benzoic acid, 3-(3,4-dihydro-1H-isoquinoline-2-sulfonyl)-, benzoic acid, 3-[(3,4-dihydro-2(1H)-isoquinolinyl)sulfonyl]-, 0SZ, CID712934, 3-((3,4-Dihydroisoquinolin-2(1H)-yl)sulfonyl)benzoicacid,

Complexity	513
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	317.072g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	317.359g/mol
Monoisotopic Mass	317.072g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	83.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number