AG0033GF

6340-79-0 | 3-(4-Bromobenzoyl)propionic acid

AG0033GF

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CAS Number	6340-79-0
Catalog Number	AG0033GF(AGN-PC-0T887B)
Chemical Name	3-(4-Bromobenzoyl)propionic acid
EC Number	228-732-8
IUPAC Name	4-(4-bromophenyl)-4-oxobutanoic acid
InChI	InChI=1S/C10H9BrO3/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14/h1-4H,5-6H2,(H,13,14)
InChI Key	ZODFRCZNTXLDDW-UHFFFAOYSA-N
MDL Number	MFCD00016563
Molecular Formula	C10H9BrO3
Molecular Weight	257.0807
NSC Number	51068
SMILES	O=C(O)CCC(=O)c1ccc(cc1)Br
Synonyms	3-(4-Bromobenzoyl)propionic acid, 6340-79-0, 4-(4-Bromophenyl)-4-oxobutanoic acid, 3-(p-Bromobenzoyl)propionic acid, 4-(4-BROMOPHENYL)-4-OXOBUTYRIC ACID, 4-(4-Bromo-phenyl)-4-oxo-butyric acid, ZODFRCZNTXLDDW-UHFFFAOYSA-N, MFCD00016563, 4-(4-bromophenyl)-4-oxo-butyric acid, 4-(4-bromophenyl)-4-oxo-butanoic acid, 3-(4-BROMOBENZOYL)PROPANOIC ACID, NSC51068, EINECS 228-732-8, NSC 51068, PubChem23490, Enamine_004082, AC1L2ZU9, ACMC-1B38G, KSC495A3F, SCHEMBL100952, AC1Q754N, CHEMBL510918, 3-(4bromobenzoyl)propionic acid, 3-(4-Bromobenzoyl)propionicAcid, CTK3J5032, KS-00000CJR, ZINC58212, DTXSID70212815, HMS1405J12, ACT02966, BCP23348, beta-(p-Bromobenzoyl)propionic acid, CS-D1185, ANW-34627, NSC-51068, SBB000956, STK208482, .beta.-(p-Bromobenzoyl)propionic acid, AKOS000200478, AB01200, AN-3989, MCULE-7627185295, RTC-069502, TRA0019893, WT82027, 3-(4-Bromobenzoyl)propionic acid, 96%, NCGC00325151-01, 4-(4-Bromophenyl)-4-oxobutanoic acid #, AJ-09838, AK-38438, BC004935, Benzenebutanoic acid, 4-bromo-gamma-oxo-, BP-10004, BR-38438, SY006987, TS-00821, AB0025968, AB1006393, ST2404749, TC-069502, AM20040918, B3129, BB 0221116, Benzenebutanoic acid, 4-bromo-.gamma.-oxo-, FT-0083215, FT-0613641, ST50307699, W7538, 4-BROMO-GAMMA-OXO-BENZENEBUTANOIC ACID, AZ0001-0127, A26751, S-1983, AB01320202-02, MFCD00016563 (97+%), Q-103456, S01-0371, Z56860296, 3-(P-Bromobenzoyl)propionic acid;4-(4-Bromophenyl)-4-oxobutanoic acid;4-(4-Bromophenyl)-4-oxobutyric acid, null, C10H9BrO3, C10-H9-Br-O3, |A-(4-Bromophenyl)propionic acid, CID80646,

Complexity	219
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	255.974g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	257.083g/mol
Monoisotopic Mass	255.974g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	54.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number