AG00DACC

54321-80-1 | 3-Bromo-5-nitrobenzamide

AG00DACC

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CAS Number	54321-80-1
Catalog Number	AG00DACC(AGN-PC-0KZ86R)
Chemical Name	3-Bromo-5-nitrobenzamide
IUPAC Name	3-bromo-5-nitrobenzamide
InChI	InChI=1S/C7H5BrN2O3/c8-5-1-4(7(9)11)2-6(3-5)10(12)13/h1-3H,(H2,9,11)
InChI Key	WNYWPPUDAKYNIZ-UHFFFAOYSA-N
MDL Number	MFCD01529620
Molecular Formula	C7H5BrN2O3
Molecular Weight	245.0302
SMILES	O=C(N)C1=CC([N+]([O-])=O)=CC(Br)=C1
Synonyms	3-bromo-5-nitrobenzamide, 54321-80-1, ACMC-209lff, 5-bromo-3-nitrobenzamide, 3-Nitro-5-bromobenzamide, 3-bromo-5-nitro-benzamide, AC1MV61U, Benzamide,3-bromo-5-nitro-, CTK5A0487, DTXSID90395598, ZINC4181848, 7822AB, ANW-32041, MFCD01529620, STK377445, AKOS005449017, MCULE-6297002734, AJ-48222, AK-35579, CJ-11353, DS-12700, DB-071823, TR-019209, FT-0650264, ST24041930, ST51059893, W-2803, I01-11006, C7H5BrN2O3, ZINC04181848, CID3727797,

Complexity	228
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	243.948g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	245.032g/mol
Monoisotopic Mass	243.948g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	88.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

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

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