AG001M4Q

149910-98-5 | 1H-2-Benzopyran, 7-bromo-3,4-dihydro-

AG001M4Q

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CAS Number	149910-98-5
Catalog Number	AG001M4Q(AGN-PC-0N6LES)
Chemical Name	1H-2-Benzopyran, 7-bromo-3,4-dihydro-
IUPAC Name	7-bromo-3,4-dihydro-1H-isochromene
InChI	InChI=1S/C9H9BrO/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5H,3-4,6H2
InChI Key	CHBQZLRHIRLMBX-UHFFFAOYSA-N
MDL Number	MFCD20040068
Molecular Formula	C9H9BrO
Molecular Weight	213.0712
SMILES	BrC1=CC=C2CCOCC2=C1
Synonyms	7-bromoisochroman, 149910-98-5, AK-87302, 7-bromoisochromane, SCHEMBL4523516, CTK8C1147, DTXSID10441743, CHBQZLRHIRLMBX-UHFFFAOYSA-N, KS-00000QF5, 7-bromo-3,4-dihydro-1H-isochromen, 7481AA, ANW-65962, MFCD20040068, ZINC39018981, AKOS016005652, CB-3817, CS-W006297, FCH1362795, AJ-97368, AS-50261, 1H-2-Benzopyran, 7-bromo-3,4-dihydro-, AX8236313, ST2412517, TC-154707, 4CH-016751, C9H9BrO, 7-bromo-3,4-dihydro-1H-isochromene, CID10560525,

Complexity	138
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	211.984g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	213.074g/mol
Monoisotopic Mass	211.984g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	9.2A^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-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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