AG0005V1

1018978-85-2 | 2H-1-Benzopyran-4-amine, 6-fluoro-3,4-dihydro-, (4S)-

AG0005V1

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CAS Number	1018978-85-2
Catalog Number	AG0005V1(AGN-PC-00VAH7)
Chemical Name	2H-1-Benzopyran-4-amine, 6-fluoro-3,4-dihydro-, (4S)-
IUPAC Name	(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
InChI	InChI=1S/C9H10FNO/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5,8H,3-4,11H2/t8-/m0/s1
InChI Key	WVQYSVLMDHXHOV-QMMMGPOBSA-N
MDL Number	MFCD06761991
Molecular Formula	C9H10FNO
Molecular Weight	167.1802
SMILES	N[C@H]1CCOC2=C1C=C(F)C=C2
Synonyms	(S)-6-fluorochroman-4-amine, 1018978-85-2, (S)-6-FLUORO-CHROMAN-4-YLAMINE, (4S)-6-fluoro-3,4-dihydro-2H-1-benzopyran-4-amine, AMOT0463, (S)-6-Fluorochroman-4-ylamine, CTK4A0375, DTXSID10677267, 0510AA, ANW-54279, MFCD06761991, ZINC16082988, AKOS015854194, AB29104, CF-1342, NE64625, AJ-68159, AS-55133, SC-27787, DB-000765, TC-061686, AM20020087, FT-0772442, I14-10210, 2H-1-Benzopyran-4-amine, 6-fluoro-3,4-dihydro-, (4S)-, C9H10FNO, ACN-040931, (S)-6-FLUOROCHROMAN-4-AMINE-HCL,

Complexity	165
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	167.075g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	167.183g/mol
Monoisotopic Mass	167.075g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	35.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H318
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 2735

Certificate of Analysis

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