AG001PMX

157701-33-2 | Acetamide, N-(6-bromo-2,3-dihydro-1H-inden-5-yl)-

AG001PMX

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CAS Number	157701-33-2
Catalog Number	AG001PMX(AGN-PC-0N3TQ4)
Chemical Name	Acetamide, N-(6-bromo-2,3-dihydro-1H-inden-5-yl)-
IUPAC Name	N-(6-bromo-2,3-dihydro-1H-inden-5-yl)acetamide
InChI	InChI=1S/C11H12BrNO/c1-7(14)13-11-6-9-4-2-3-8(9)5-10(11)12/h5-6H,2-4H2,1H3,(H,13,14)
InChI Key	BSZWXNUSLPNWEZ-UHFFFAOYSA-N
MDL Number	MFCD09263981
Molecular Formula	C11H12BrNO
Molecular Weight	254.1231
SMILES	CC(=O)Nc1cc2CCCc2cc1Br
Synonyms	157701-33-2, N-(6-bromo-2,3-dihydro-1H-inden-5-yl)acetamide, 5-acetamido-6-bromoindan, Acetamide, N-(6-bromo-2,3-dihydro-1H-inden-5-yl)-, 5-acetylamino-6-bromoindane, 6-bromo-5-acetamido-indane, SCHEMBL433839, CTK0E7264, DTXSID00439316, N-(6-Bromoindan-5-yl)acetamide, BSZWXNUSLPNWEZ-UHFFFAOYSA-N, MFCD09263981, ZINC38777490, AB50326, N-(5-BROMO-2,3-DIHYDRO-1H-INDEN-6-YL)ACETAMIDE, CID10400034,

Complexity	231
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	253.01g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	254.127g/mol
Monoisotopic Mass	253.01g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	29.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number