AG00369V

890840-90-1 | 7,8-Difluorochroman-4-one

AG00369V

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CAS Number	890840-90-1
Catalog Number	AG00369V(AGN-PC-0WAC4B)
Chemical Name	7,8-Difluorochroman-4-one
IUPAC Name	7,8-difluoro-2,3-dihydrochromen-4-one
InChI	InChI=1S/C9H6F2O2/c10-6-2-1-5-7(12)3-4-13-9(5)8(6)11/h1-2H,3-4H2
InChI Key	QVMSLYKXQLIIRA-UHFFFAOYSA-N
MDL Number	MFCD11518476
Molecular Formula	C9H6F2O2
Molecular Weight	184.1395
SMILES	FC1=CC=C2C(CCOC2=C1F)=O
Synonyms	7,8-difluorochroman-4-one, 890840-90-1, AMOT0862, SCHEMBL13506594, CTK5G2526, KS-00000HZW, DTXSID70676392, 4709AC, ANW-53084, MFCD11518476, ZINC62611147, AKOS005146449, CD-1921, AK-50850, DS-15556, SY224716, AJ-114168, DB-026420, TC-061800, AM20041345, FT-0753694, ST24029848, MFCD11518476 (97%), 7,8-difluoro-3,4-dihydro-2H-1-benzopyran-4-one, 7,8-Difluoro-2,3-dihydro-4H-1-benzopyran-4-one, I14-10442, C9H6F2O2, ACN-041091, A15889,

Complexity	220
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	184.034g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	184.142g/mol
Monoisotopic Mass	184.034g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

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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