AG00C0Y6

336182-29-7 | N-Isopropyl 4-bromobenzamide

AG00C0Y6

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CAS Number	336182-29-7
Catalog Number	AG00C0Y6(AGN-PC-0KY4HO)
Chemical Name	N-Isopropyl 4-bromobenzamide
IUPAC Name	4-bromo-N-propan-2-ylbenzamide
InChI	InChI=1S/C10H12BrNO/c1-7(2)12-10(13)8-3-5-9(11)6-4-8/h3-7H,1-2H3,(H,12,13)
InChI Key	PWXNCWKINUCUPV-UHFFFAOYSA-N
MDL Number	MFCD00465197
Molecular Formula	C10H12BrNO
Molecular Weight	242.1124
SMILES	O=C(NC(C)C)C1=CC=C(Br)C=C1
Synonyms	4-Bromo-N-isopropylbenzamide, 336182-29-7, N-Isopropyl 4-bromobenzamide, 4-bromo-N-propan-2-ylbenzamide, AC1MU0VV, ACMC-209i1y, N-Isopropyl4-bromobenzamide, N-Isopropyl-4-bromobenzamide, SCHEMBL13062204, CTK4H0979, DTXSID70394746, PWXNCWKINUCUPV-UHFFFAOYSA-N, ZINC3165223, 4-Bromo-N-(1-methylethyl)benzamide, ANW-27668, MFCD00465197, AKOS000172292, Benzamide,4-bromo-N-(1-methylethyl)-, RTR-014053, 4-Bromo-N-isopropylbenzamide, AldrichCPR, AJ-44675, TR-014053, V5263, 10.14272/PWXNCWKINUCUPV-UHFFFAOYSA-N, K-7741, doi:10.14272/PWXNCWKINUCUPV-UHFFFAOYSA-N, I01-11076, C10H12BrNO, 4-bromo-N-propan-2-yl-benzamide, CID3658621,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	241.01g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	242.116g/mol
Monoisotopic Mass	241.01g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	29.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code

Certificate of Analysis

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