AG003KLG

7295-44-5 | 1-(4-Bromophenyl)pentan-1-one

AG003KLG

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CAS Number	7295-44-5
Catalog Number	AG003KLG(AGN-PC-0JLTFN)
Chemical Name	1-(4-Bromophenyl)pentan-1-one
EC Number	230-729-1
IUPAC Name	1-(4-bromophenyl)pentan-1-one
InChI	InChI=1S/C11H13BrO/c1-2-3-4-11(13)9-5-7-10(12)8-6-9/h5-8H,2-4H2,1H3
InChI Key	STYJKBMRWQQJIS-UHFFFAOYSA-N
MDL Number	MFCD00000107
Molecular Formula	C11H13BrO
Molecular Weight	241.1243
NSC Number	76560
SMILES	CCCCC(C1=CC=C(Br)C=C1)=O
Synonyms	4'-Bromovalerophenone, 7295-44-5, 1-(4-bromophenyl)pentan-1-one, p-Bromophenyl butyl ketone, p-Bromovalerophenone, 4-BROMOVALEROPHENONE, 1-Pentanone, 1-(4-bromophenyl)-, 1-Bromo-4-pentanoylbenzene, 1-(4-Bromophenyl)-1-pentanone, STYJKBMRWQQJIS-UHFFFAOYSA-N, MFCD00000107, W-104473, NSC76560, EINECS 230-729-1, ACMC-20ammf, 4;-Bromovalerophenone, 4-pentanoylbromobenzene, 4-Pentanoyl-bromobenzene, AC1Q5DQY, Maybridge1_002230, Valerophenone, 4'-bromo-, 4-Bromophenyl Butyl Ketone, AC1L31XB, AC1Q2V6E, p-BROMO VALEROPHENONE, 4-Bromphenyl n-butyl ketone, SCHEMBL1091479, 4'-Bromovalerophenone, >=98%, CTK5D7147, HMS547N08, DTXSID40223236, 1-Pentanone,1-(4-bromophenyl)-, ZINC1707942, ZX-AT023772, KM1525, NSC-76560, SBB065070, AKOS009156886, MCULE-8469910766, VZ28643, KS-0000116P, AJ-30696, AK140455, BBV-27029753, O115, SY016944, AB0016268, AX8013155, TR-023752, B4733, FT-0636421, ST24037322, ST50319814, 4 inverted exclamation mark -Bromovalerophenone, MFCD00000107 (97+%), C-14466, I01-6862, 4/'-Bromovalerophenone, C11H13BrO, C11-H13-Br-O, CID81717, AR-1K9734, 4'-Bromovalerophenone, 98% - 25G 25g, 2834-05-1, 72549-29-2,

Complexity	160
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	240.015g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	241.128g/mol
Monoisotopic Mass	240.015g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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