AG00FA2G

6567-35-7 | 3-Bromoisoxazole-5-carboxylic acid

AG00FA2G

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CAS Number	6567-35-7
Catalog Number	AG00FA2G(AGN-PC-0JM5MQ)
Chemical Name	3-Bromoisoxazole-5-carboxylic acid
IUPAC Name	3-bromo-1,2-oxazole-5-carboxylic acid
InChI	InChI=1S/C4H2BrNO3/c5-3-1-2(4(7)8)9-6-3/h1H,(H,7,8)
InChI Key	YNIMFLBFJCGBQK-UHFFFAOYSA-N
MDL Number	MFCD07368611
Molecular Formula	C4H2BrNO3
Molecular Weight	191.9676
NSC Number	303797
SMILES	C1=C(ON=C1Br)C(=O)O
Synonyms	3-bromoisoxazole-5-carboxylic acid, 6567-35-7, 3-bromo-1,2-oxazole-5-carboxylic acid, 3-Bromoisoxazole-5-CarboxylicAcid, 3-Bromo-isoxazole-5-carboxylic acid, 3-BROMO-5-ISOXAZOLECARBOXYLIC ACID, 5-ISOXAZOLECARBOXYLIC ACID, 3-BROMO-, NSC303797, PubChem17690, 3-Bromo-5-carboxyisoxazole, SCHEMBL568672, CTK2F4461, DTXSID80316494, 3-Bromo-5-carboxy-1,2-oxazole, YNIMFLBFJCGBQK-UHFFFAOYSA-N, AC1L7148, KS-00000NJ4, ZINC1567450, 5-Isoxazolecarboxylicacid, 3-bromo-, ANW-51468, BBL101578, MFCD07368611, SBB053167, STL555374, AKOS005259552, AB32047, CB-2775, CS-W008746, NSC-303797, RP25134, WT82012, AJ-27158, AK-21783, BC004277, BR-21783, EN001922, SC-92904, TS-02707, AB0026095, AB1006310, DB-006381, ST2410586, TC-140213, 4CH-015512, A8897, FT-0081254, FT-0649376, W7690, 3-bromoisoxazole-5-carboxylic acid, AldrichCPR, S-4885, I14-9937, J-512112, S03-0146, null, C4H2BrNO3, CID327716, Ethyl 3-bromoisoxazole-5-carboxylate, ACN-039181, Ethyl 3-Bromo-1,2-Oxazole-5-Carboxylate, 3-Bromo-isoxazole-5-carboxylic acid ethyl ester, 3-BROMO-5-ISOXAZOLECARBOXYLIC ACID ETHYL ESTER,

Complexity	129
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	190.922g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	191.968g/mol
Monoisotopic Mass	190.922g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number