AG002LIH

22921-67-1 | 5-Acetamido-2-Bromobenzoic Acid

AG002LIH

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CAS Number	22921-67-1
Catalog Number	AG002LIH(AGN-PC-0KK6DY)
Chemical Name	5-Acetamido-2-Bromobenzoic Acid
IUPAC Name	5-acetamido-2-bromobenzoic acid
InChI	InChI=1S/C9H8BrNO3/c1-5(12)11-6-2-3-8(10)7(4-6)9(13)14/h2-4H,1H3,(H,11,12)(H,13,14)
InChI Key	JUWQEPVNDAKOQG-UHFFFAOYSA-N
MDL Number	MFCD00040902
Molecular Formula	C9H8BrNO3
Molecular Weight	258.0687
SMILES	O=C(O)C1=CC(NC(C)=O)=CC=C1Br
Synonyms	5-acetamido-2-bromobenzoic acid, 22921-67-1, 5-(acetylamino)-2-bromobenzoic acid, JUWQEPVNDAKOQG-UHFFFAOYSA-N, 5-Acetamido-2-bromobenzoic acid hydrate, ACMC-209fzl, AC1MC0HK, SCHEMBL1671246, DTXSID30370147, 5-acetylamino-2-bromobenzoic acid, BCP26301, ZINC2390026, ANW-24991, MFCD00040902, SBB063954, AKOS005206951, VZ29986, 3-ACETAMINO-6-BROMOBENZOIC ACID, AC-24378, AJ-35651, Benzoic acid, 5-(acetylamino)-2-bromo-, DB-046019, ST2406041, TR-010724, 5-acetamido-2-bromobenzoic acid, AldrichCPR, FT-0619918, ST50405690, W4664, B-8022, I01-3462, C9H8BrNO3, 5-acetamido-2-bromo-benzoic Acid, 5-Acetamido-2-bromobenzoic acid hydrat, CID2734159,

Complexity	244
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	256.969g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	258.071g/mol
Monoisotopic Mass	256.969g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	66.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

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