AG00779G

37924-85-9 | 3-(Bromomethyl)benzo[d]isoxazole

AG00779G

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CAS Number	37924-85-9
Catalog Number	AG00779G(AGN-PC-0KVFUC)
Chemical Name	3-(Bromomethyl)benzo[d]isoxazole
IUPAC Name	3-(bromomethyl)-1,2-benzoxazole
InChI	InChI=1S/C8H6BrNO/c9-5-7-6-3-1-2-4-8(6)11-10-7/h1-4H,5H2
InChI Key	MAIKTETULSZRED-UHFFFAOYSA-N
MDL Number	MFCD03701148
Molecular Formula	C8H6BrNO
Molecular Weight	212.0433
SMILES	BrCC1=NOC2=CC=CC=C12
Synonyms	37924-85-9, 3-(bromomethyl)benzo[d]isoxazole, 3-(Bromomethyl)-1,2-benzisoxazole, 3-(bromomethyl)-1,2-benzoxazole, 3-Bromomethyl-1,2-Benzisoxazole, 1,2-Benzisoxazole, 3-(bromomethyl)-, 3-bromomethyl-benzo[d]isoxazole, 3-Bromomethylbenzisoxazole, 1,2-Benzisoxazole,3-(bromomethyl)-, BMBI, AC1MRVC9, 3-bromomethyl benzisoxazole, 3-bromoethylbenzo[o]isoxazole, SCHEMBL692195, 3-bromomethyl benzo[d]isoxazole, Bromomethyl)-1,2-benzisoxazole, Jsp006674, CTK4H9022, DTXSID40393069, MAIKTETULSZRED-UHFFFAOYSA-N, 3-Bromo Methyl 1,2-Benzisoxazole, KS-000019SI, ZINC2509747, AC-178, MFCD03701148, AKOS015936127, FCH1321327, VO10090, ACM37924859, AK206413, AN-16110, AS-36362, BC005235, AB0033382, AB1004765, AX8020554, DB-049946, TX-016569, CS-0085292, FT-0663771, X6921, 3-(bromomethyl)-1,2-benzisoxazole, AldrichCPR, A-2489, 924B859, A823940, F1967-1737, 3-(Bromomethyl)-1,2-benzisoxazole; 3-Bromomethylbenzisoxazole; 3-Bromomethylbenzo[d]isoxazole, C8H6BrNO, 3- -1,2-BENZISOXAZOLE, ACN-001694, CID3499189,

Complexity	142
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	210.963g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	212.046g/mol
Monoisotopic Mass	210.963g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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