AG003K2O

35656-89-4 | 4-(4-Bromophenyl)butanoic acid

AG003K2O

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CAS Number	35656-89-4
Catalog Number	AG003K2O(AGN-PC-08WSD0)
Chemical Name	4-(4-Bromophenyl)butanoic acid
IUPAC Name	4-(4-bromophenyl)butanoic acid
InChI	InChI=1S/C10H11BrO2/c11-9-6-4-8(5-7-9)2-1-3-10(12)13/h4-7H,1-3H2,(H,12,13)
InChI Key	AGIIMNQWNPUJPT-UHFFFAOYSA-N
MDL Number	MFCD00463170
Molecular Formula	C10H11BrO2
Molecular Weight	243.0971
NSC Number	74918
SMILES	O=C(O)CCCC1=CC=C(Br)C=C1
Synonyms	4-(4-Bromophenyl)butanoic acid, 35656-89-4, 4-(4-Bromophenyl)butyric Acid, benzenebutanoic acid, 4-bromo-, AK-81606, NSC74918, PubChem16174, ACMC-209iig, AC1L5MMJ, 4-Bromobenzenebutanoic acid, NCIOpen2_004140, Benzenebutanoic acid,4-bromo-, 4-(p-Bromophenyl)butyric acid, AC1Q264X, SCHEMBL1857558, CTK4H5097, DTXSID90291329, AGIIMNQWNPUJPT-UHFFFAOYSA-N, 4-(4-Bromo-phenyl)-butyric acid, BCP10703, ZINC1673211, ZX-RL000415, 4-BROMO-BENZENEBUTANOIC ACID, ANW-28262, MFCD00463170, NSC-74918, SBB099678, AKOS005264369, BBV-183177, CB-1847, GS-3808, MB01227, MCULE-3233980702, RP28559, TRA0067630, ACM35656894, AJ-29312, BC004081, BP-11612, OR301143, SC-49268, SY006986, AB0024442, AX8090446, DB-022431, ST2405373, TC-010426, TL8002642, B3131, FT-0083216, FT-0651320, ST50992354, W5718, MFCD00463170 (97%), 656B894, A115477, J-513465, I14-10510, Z2805899935, 4-(4-bromophenyl)butanoicacid, C10H11BrO2, 3-Bromo-2,4-dichloropyridine, 4-(4-Bromophenyl)butanic acid, AR-1H8474, CID252732, ACN-038124, 108-99-6, 19078-75-2, 4042-59-5,

Complexity	162
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	241.994g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	243.1g/mol
Monoisotopic Mass	241.994g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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