AG01DU54

1213126-25-0 | (4S)-6,7-Difluorochromane-4-ylamine

AG01DU54

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CAS Number	1213126-25-0
Catalog Number	AG01DU54
Chemical Name	(4S)-6,7-Difluorochromane-4-ylamine
IUPAC Name	(4S)-6,7-difluoro-3,4-dihydro-2H-chromen-4-amine
InChI	InChI=1S/C9H9F2NO/c10-6-3-5-8(12)1-2-13-9(5)4-7(6)11/h3-4,8H,1-2,12H2/t8-/m0/s1
InChI Key	GOQOIXARHKVMLS-QMMMGPOBSA-N
MDL Number	MFCD07374041
Molecular Formula	C9H9F2NO
Molecular Weight	185.1707
SMILES	N[C@H]1CCOC2=C1C=C(F)C(F)=C2
Synonyms	(S)-6,7-DIFLUOROCHROMAN-4-AMINE, 1213126-25-0, (4S)-6,7-DIFLUOROCHROMANE-4-YLAMINE, KS-00000U7J, FCH855784, MFCD07374041, ZINC95638868, AKOS030625237, AB38599, DS-20024, AX8297417,

Complexity	191
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	185.065g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	185.174g/mol
Monoisotopic Mass	185.065g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	35.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

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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