AG000MLQ

124676-19-3 | 1H-Benzotriazole-1-acetic acid, α-[[(phenylmethoxy)carbonyl]amino]-

AG000MLQ

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CAS Number	124676-19-3
Catalog Number	AG000MLQ(AGN-PC-05WL8U)
Chemical Name	1H-Benzotriazole-1-acetic acid, α-[[(phenylmethoxy)carbonyl]amino]-
IUPAC Name	2-(benzotriazol-1-yl)-2-(phenylmethoxycarbonylamino)acetic acid
InChI	InChI=1S/C16H14N4O4/c21-15(22)14(20-13-9-5-4-8-12(13)18-19-20)17-16(23)24-10-11-6-2-1-3-7-11/h1-9,14H,10H2,(H,17,23)(H,21,22)
InChI Key	BNCGQJZQVLAXAB-UHFFFAOYSA-N
MDL Number	MFCD00961511
Molecular Formula	C16H14N4O4
Molecular Weight	326.3068
SMILES	O=C(O)C(N1N=NC2=CC=CC=C21)NC(OCC3=CC=CC=C3)=O
Synonyms	124676-19-3, 2-(1H-Benzo[d][1,2,3]triazol-1-yl)-2-(((benzyloxy)carbonyl)amino)acetic acid, Benzotriazol-1-yl-benzyloxycarbonylamino-acetic acid, AK-56587, 2-(benzotriazol-1-yl)-2-(phenylmethoxycarbonylamino)acetic acid, 1H-1,2,3-benzotriazol-1-yl{[(benzyloxy)carbonyl]amino}acetic acid, 2-(1H-Benzo[d][1,2,3]triazol-1-yl)-2-(benzyloxycarbonylamino)acetic acid, AC1N8B1W, N-benzyloxycarbonyl-2-(benzotriazol-1-yl)glycine, SCHEMBL644202, 2-(benzotriazol-1-yl)-N-(benzyloxycarbonyl)glycine, CTK4B4033, DTXSID50401861, BNCGQJZQVLAXAB-UHFFFAOYSA-N, CS-M3218, KS-00000FQ2, 4695AA, ANW-73509, MFCD00961511, AS-43361, CC-24414, AX8115924, DB-041779, TC-162254, FT-0643032, ST24039073, B64161, C-29238, (Benzotriazol-1-yl)(benzyloxycarbonylamino)acetic acid, (1H-Benzotriazol-1-yl){[(benzyloxy)carbonyl]amino}acetic acid, 1H-1,2,3-benzotriazol-1-yl {[(benzyloxy)carbonyl]amino}acetic acid, 1H-1,2,3-benzotriazol-1-yl({[(phenylmethyl)oxy]carbonyl}amino)acetic acid, 1H-Benzotriazole-1-acetic acid, ?-[[(phenylmethoxy)carbonyl]amino]-, 1H-Benzotriazole-1-acetic acid, alpha-[[(phenylmethoxy)carbonyl]amino]-, alpha-[[(Phenylmethoxy)carbonyl]amino]-1H-benzotriazole-1-acetic Acid, C16H14N4O4, CID4315963, 2-benzotriazol-1-yl-2-phenylmethoxycarbonylamino-acetic Acid,

Complexity	455
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	326.102g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	326.312g/mol
Monoisotopic Mass	326.102g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	106A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number