AG001UDS

163798-87-6 | 1H-Benzimidazole-1-carboxylic acid, 2-(chloromethyl)-, 1,1-dimethylethyl ester

AG001UDS

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CAS Number	163798-87-6
Catalog Number	AG001UDS(AGN-PC-0NKZ7N)
Chemical Name	1H-Benzimidazole-1-carboxylic acid, 2-(chloromethyl)-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 2-(chloromethyl)benzimidazole-1-carboxylate
InChI	InChI=1S/C13H15ClN2O2/c1-13(2,3)18-12(17)16-10-7-5-4-6-9(10)15-11(16)8-14/h4-7H,8H2,1-3H3
InChI Key	YNZUHDHIWWRGOR-UHFFFAOYSA-N
MDL Number	MFCD10697638
Molecular Formula	C13H15ClN2O2
Molecular Weight	266.7234
SMILES	CC(C)(C)OC(=O)N1C(CCl)=NC2=CC=CC=C12
Synonyms	163798-87-6, tert-Butyl 2-(chloromethyl)-1H-benzo[d]imidazole-1-carboxylate, TERT-BUTYL 2-(CHLOROMETHYL)-1H-BENZIMIDAZOLE-1-CARBOXYLATE, 1-(tert-Butoxycarbonyl)-2-(chloromethyl)-benzimidazole, MFCD10697638, 1-Boc-2-chloromethylbenzimidazole, n-boc-chloromethylbenzimidazole, SCHEMBL368032, N-BOC-chloromethyl benzimidazole, CTK8C2418, DTXSID60578679, YNZUHDHIWWRGOR-UHFFFAOYSA-N, tert-butyl2-(chloromethyl)-1H-benzo[d]imidazole-1-carboxylate, BCP14825, CS-M0361, KS-00001E3U, 8324AA, ANW-68362, RW3952, ZINC34750418, AKOS005198692, AB60130, FCH1627742, FD-0036, QC-3348, RP14972, tertbutoxycarbonylchloromethylbenzimidazole, AJ-90055, AK-79750, AB0083570, AX8237576, BB0301022, TR-007033, 4CH-024201, FT-0682010, ST24049653, N-(t-butoxycarbonyl)-2-chloromethylbenzimidazole, J-524410, n-(tert-butoxycarbonyl)-2-chloromethylbenzimidazole, S14-2422, 1-(tert-butoxycarbonyl)-2-(chloromethyl)benzimidazole, tert-butyl 2-(chloromethyl)benzimidazole-1-carboxylate, 1-(tert-Butoxycarbonyl)-2-(chloromethyl)benzo[d]imidazole, tert-butyl 2-(chloromethyl)-1,3-benzodiazole-1-carboxylate, 2-Chloromethyl-benzimidazole-1-carboxylic acid tert-butyl ester, 2-chloromethyl-benzimidazole-l-carboxylic acid tert-butyl ester, tert-butyl 2-(chloromethyl)-1H-1,3-benzodiazole-1-carboxylate, 1,1-dimethylethyl 2-(chloromethyl)-1H-benzimidazole-1-carboxylate, 2-chloromethyl-benzoimidazole-1-carboxylic acid tert-butyl ester, 2-chloromethyl-benzoimidazole-1-carboxylic acid-tert-butyl ester, tert-butyl 2-(chloromethyl)-1H-benzo[d]imidazole-1-carboxylatev, C13H15ClN2O2, 1H-Benzimidazole-1-carboxylic acid, 2-(chloromethyl)-, 1,1-dimethylethyl ester, tert-butyl 2-(chloromethyl)-1H-benzo[d]imidazole-1-carboxylate, 95% - 1G 1g,

Complexity	317
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	266.082g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	266.725g/mol
Monoisotopic Mass	266.082g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	44.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

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

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