AG005DLT

80031-02-3 | 2-Bromo-N-ethylbenzamide

AG005DLT

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CAS Number	80031-02-3
Catalog Number	AG005DLT(AGN-PC-0KUMH4)
Chemical Name	2-Bromo-N-ethylbenzamide
IUPAC Name	2-bromo-N-ethylbenzamide
InChI	InChI=1S/C9H10BrNO/c1-2-11-9(12)7-5-3-4-6-8(7)10/h3-6H,2H2,1H3,(H,11,12)
InChI Key	DWCBZUWYUAIEEP-UHFFFAOYSA-N
MDL Number	MFCD01211894
Molecular Formula	C9H10BrNO
Molecular Weight	228.0858
SMILES	C1(C=CC=CC=1Br)C(NCC)=O
Synonyms	2-bromo-N-ethylbenzamide, 80031-02-3, N-ETHYL 2-BROMOBENZAMIDE, AC1MQFLD, N-ethyl-2-bromobenzamide, ACMC-1BKH8, Benzamide,2-bromo-N-ethyl-, 2-bromanyl-N-ethyl-benzamide, SCHEMBL6427422, CTK5E7373, DTXSID00392593, KS-000019QB, ZINC5456608, ANW-37345, MFCD01211894, STL260084, AKOS000191191, MCULE-4535110283, AJ-54137, AM804366, TR-025363, CS-0037638, V7815, 10.14272/DWCBZUWYUAIEEP-UHFFFAOYSA-N, B-5161, A839811, doi:10.14272/DWCBZUWYUAIEEP-UHFFFAOYSA-N, I01-10700, C9H10BrNO, 2-bromo-N-ethyl-benzamide, CID3450992,

Complexity	161
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	226.995g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	228.089g/mol
Monoisotopic Mass	226.995g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	29.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P301+P312+P330
UN Code

Certificate of Analysis

Lot Number