AG004Q98

852181-00-1 | 2-Bromomethyl-chroman

AG004Q98

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CAS Number	852181-00-1
Catalog Number	AG004Q98(AGN-PC-0UYWS4)
Chemical Name	2-Bromomethyl-chroman
IUPAC Name	2-(bromomethyl)-3,4-dihydro-2H-chromene
InChI	InChI=1S/C10H11BrO/c11-7-9-6-5-8-3-1-2-4-10(8)12-9/h1-4,9H,5-7H2
InChI Key	FQPRCEFOQRTXQL-UHFFFAOYSA-N
MDL Number	MFCD09800599
Molecular Formula	C10H11BrO
Molecular Weight	227.0977
SMILES	BrCC1OC2=C(C=CC=C2)CC1
Synonyms	2-(bromomethyl)chroman, 852181-00-1, 2-bromomethyl-chroman, 2-(Bromomethyl)chromane, 2-Bromomethylchroman, 2-(bromomethyl)-3,4-dihydro-2H-1-benzopyran, 2-(Bromomethyl)-3,4-dihydro-2H-chromene, 2-BROMOMETHYL-3,4-DIHYDRO-2H-CHROMEN, SCHEMBL4936360, CTK5F4560, DTXSID20656801, ANW-56064, MFCD09800599, SBB054977, AKOS015836149, CB-2788, RP05430, RTC-068281, AN-27070, DB-010670, TC-068281, FT-0657186, Y5577, C-2039, 2H-1-Benzopyran,2-(bromomethyl)-3,4-dihydro-, 181B001, 2h-1-benzopyran, 2-(bromomethyl)-3,4-dihydro-, J-506272, S14-1771, 2-(bromomethyl)-3,4-dihydro-2h-chromene, 2-(bromomethyl)-3,4-dihydro-2h-1-benzopyran, C10H11BrO, ACN-038977, 2-(bromomethyl)chroman, 95% - 1G 1g, A10222,

Complexity	149
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	225.999g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	227.101g/mol
Monoisotopic Mass	225.999g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	9.2A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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