AG002IN8

2067-33-6 | Pentanoic acid, 5-bromo-

AG002IN8

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CAS Number	2067-33-6
Catalog Number	AG002IN8(AGN-PC-0BXBGW)
Chemical Name	Pentanoic acid, 5-bromo-
EC Number	218-185-3
IUPAC Name	5-bromopentanoic acid
InChI	InChI=1S/C5H9BrO2/c6-4-2-1-3-5(7)8/h1-4H2,(H,7,8)
InChI Key	WNXNUPJZWYOKMW-UHFFFAOYSA-N
MDL Number	MFCD00004414
Molecular Formula	C5H9BrO2
Molecular Weight	181.0278
NSC Number	53507
SMILES	BrCCCCC(=O)O
Synonyms	5-Bromovaleric acid, 5-BROMOPENTANOIC ACID, 2067-33-6, Pentanoic acid, 5-bromo-, 5-Bromo-n-valeric acid, Valeric acid, 5-bromo-, 5-Bromovalenc Acid, MFCD00004414, 1-bromo-4-carboxybutane, .delta.-Bromovaleric acid, 5-Bromovaleric acid, 97%, WNXNUPJZWYOKMW-UHFFFAOYSA-N, delta-Bromovaleric acid, EINECS 218-185-3, NSC 53507, 5-bromo valeric acid, 5-bromoval eric acid, PubChem3843, 5-bromo pentanoic acid, 5-bromo-pentanoic acid, Valeric acid, 5-bromo, AI3-11743, ACMC-209fd5, AC1Q75EM, KSC203E4P, SCHEMBL214058, AC1L27T9, AMOT0222, Jsp004236, RARECHEM AL BO 0181, DTXSID2062163, CTK1A3247, WNXNUPJZWYOKMW-UHFFFAOYSA-, LABOTEST-BB LTBB003965, BCP26779, KS-00000O2O, NSC53507, ZINC1684562, ANW-24183, NSC-53507, SBB061343, AKOS000120301, AC-1769, ACN-050981, AM85660, AS03476, CS-W017172, MCULE-2655919094, RP24203, RP24206, RTR-009679, TRA0073908, AJ-29800, AK113954, AN-14631, AS-13054, BC002633, BC220689, SC-02338, AB1007378, ST2411890, TL8001707, TR-009679, B1169, FT-0620181, ST51047366, B-9250, M-8666, I04-0408, F2191-0173, InChI=1/C5H9BrO2/c6-4-2-1-3-5(7)8/h1-4H2,(H,7,8), 2-Bromovaleric acid, C5H9BrO2, C5-H9-Br-O2, CID16368, H162, 5-Bromovaleric acid, 97% - 10G 10g, A15362,

Complexity	72.8
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	179.979g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	181.029g/mol
Monoisotopic Mass	179.979g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code	UN 3261

Certificate of Analysis

Lot Number