AG00249R

182949-90-2 | 1H-2-Benzopyran, 6-bromo-3,4-dihydro-

AG00249R

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CAS Number	182949-90-2
Catalog Number	AG00249R(AGN-PC-0NACQD)
Chemical Name	1H-2-Benzopyran, 6-bromo-3,4-dihydro-
IUPAC Name	6-bromo-3,4-dihydro-1H-isochromene
InChI	InChI=1S/C9H9BrO/c10-9-2-1-8-6-11-4-3-7(8)5-9/h1-2,5H,3-4,6H2
InChI Key	LHXQWWFCWFMCHO-UHFFFAOYSA-N
MDL Number	MFCD11226898
Molecular Formula	C9H9BrO
Molecular Weight	213.0712
SMILES	BrC1=CC2=C(COCC2)C=C1
Synonyms	6-bromoisochroman, 182949-90-2, 6-Bromo-isochroman, 6-BROMO-3,4-DIHYDRO-1H-2-BENZOPYRAN, 6-BROMOISOCHROMANE, 1H-2-Benzopyran, 6-bromo-3,4-dihydro-, 6-BROMO-3,4-DIHYDRO-1H-ISOCHROMENE, 6-Bromo-isochromane, ACMC-209ek4, SCHEMBL5366924, CTK4D8369, KS-00001AMN, DTXSID40444727, ACT08740, BCP08491, ANW-23138, MFCD11226898, ZINC34452358, AKOS015834751, CM10629, MB09745, RL02331, VZ30668, 1H-2-Benzopyran,6-bromo-3,4-dihydro-, AC-25655, AJ-88651, AM803403, AS-39623, BR-49149, QC-10028, AB0022990, DB-065420, TR-035979, CS-0037712, FT-0740699, ST24029695, W3968, S-7379, J-518437, C9H9BrO, ACN-049684, CID10774936, 1H-2-Benzopyran, 6-bromo-3,4-dihydro,

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	1
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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