AG0016QB

1220910-89-3 | Carbamic acid, N-[3-fluoro-4-[6-(2-methyl-2H-tetrazol-5-yl)-3-pyridinyl]phenyl]-, phenylmethyl ester

AG0016QB

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CAS Number	1220910-89-3
Catalog Number	AG0016QB(AGN-PC-0WBNV0)
Chemical Name	Carbamic acid, N-[3-fluoro-4-[6-(2-methyl-2H-tetrazol-5-yl)-3-pyridinyl]phenyl]-, phenylmethyl ester
IUPAC Name	benzyl N-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)pyridin-3-yl]phenyl]carbamate
InChI	InChI=1S/C21H17FN6O2/c1-28-26-20(25-27-28)19-10-7-15(12-23-19)17-9-8-16(11-18(17)22)24-21(29)30-13-14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,24,29)
InChI Key	GIBJIBYBOVNDET-UHFFFAOYSA-N
MDL Number	MFCD22418002
Molecular Formula	C21H17FN6O2
Molecular Weight	404.3971
SMILES	O=C(OCC1=CC=CC=C1)NC2=CC=C(C3=CC=C(C4=NN(C)N=N4)N=C3)C(F)=C2
Synonyms	1220910-89-3, benzyl (3-fluoro-4-(6-(2-methyl-2H-tetrazol-5-yl)pyridin-3-yl)phenyl)carbamate, Torezolid Impurity 22, N-[3-Fluoro-4-[6-(2-Methyl-2H-tetrazol-5-yl)-3-pyridinyl]phenyl]carbaMic acid phenylMethyl ester, Carbamic acid, N-[3-fluoro-4-[6-(2-methyl-2H-tetrazol-5-yl)-3-pyridinyl]phenyl]-, phenylmethyl ester, benzyl (3-fluoro-4-(6-(2-methyl-2H-tetrazol-5-yl)pyridin-3-yl) phenyl)carbamate, benzyl N-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)pyridin-3-yl]phenyl]carbamate, Tedizolid Impurity 19, BCP10124, CS-M1461, MFCD22418002, ZINC95938176, AKOS025402004, KS-00000M34, AC-28022, AK475458, N-[3-fluoro-4-[6-(2-Methyl-2H-tetrazol-5-yl)-3-pyridinyl]phenyl]-, phenylMethyl ester, Carbamic acid,N-[3-fluoro-4-[6-(2-methyl-2H-tetrazol-5-yl)-3-pyridinyl]phenyl]-,phenylmethyl ester, GIBJIBYBOVNDET-UHFFFAOYSA-N, ACN-048337, benzyl (4-(2-(2-methyltetrazol-5-yl)pyridin-5-yl)-3-fluorophenyl)carbamate, 313553-47-8, n-(3-fluoro-4-(6-(2-methyl-2h-tetrazol-5-yl)-3-pyridinyl)phenyl)carbamic acid phenylmethyl ester,

Complexity	564
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	404.14g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	404.405g/mol
Monoisotopic Mass	404.14g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	94.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

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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