AG0032I6

5176-27-2 | tert-Butyl 1H-pyrrole-1-carboxylate

AG0032I6

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CAS Number	5176-27-2
Catalog Number	AG0032I6(AGN-PC-0JU8L5)
Chemical Name	tert-Butyl 1H-pyrrole-1-carboxylate
IUPAC Name	tert-butyl pyrrole-1-carboxylate
InChI	InChI=1S/C9H13NO2/c1-9(2,3)12-8(11)10-6-4-5-7-10/h4-7H,1-3H3
InChI Key	IZPYBIJFRFWRPR-UHFFFAOYSA-N
MDL Number	MFCD00209559
Molecular Formula	C9H13NO2
Molecular Weight	167.2050
SMILES	O=C(N1C=CC=C1)OC(C)(C)C
Synonyms	5176-27-2, N-Boc-pyrrole, tert-butyl 1H-pyrrole-1-carboxylate, N-T-BOC-PYRROLE, tert-Butyl 1-pyrrolecarboxylate, T-BUTYL 1H-PYRROLE-1-CARBOXYLATE, N-Boc-pyrrole, 98%, tert-butyl pyrrole-1-carboxylate, N-tert-Butoxycarbonyl-1H-pyrrole, 1H-pyrrole-1-carboxylic acid, 1,1-dimethylethyl ester, 1-Boc pyrrole, 1-Boc-pyrrole, ACMC-209kvp, 1-t-butoxycarbonylpyrrole, AC1LD7CS, N-tert-butoxycarbonylpyrrole, 1-(t-butoxycarbonyl)pyrrole, N-tert-butoxycarbonyl pyrrole, SCHEMBL421871, t-butyl pyrrole-1-carboxylate, N-(tert-butyloxycarbonyl)pyrrole, DTXSID30349196, IZPYBIJFRFWRPR-UHFFFAOYSA-N, ZINC396082, tert-butyl1H-pyrrole-1-carboxylate, ACT08440, CS-D0903, ANW-31331, MFCD00209559, N-(tert-butyloxycarbonyl)-1H-pyrrole, 1-(tert-Butyloxycarbonyl)-1H-pyrrole, AKOS015841294, AM87025, LS20756, VP60129, KS-000000M2, 1-pyrrolecarboxylic acid tert-butyl ester, AJ-21586, SC-86504, SY024862, ZB012609, DB-013342, TC-010585, TX-017845, FT-0686440, ST24031718, Z0654, MFCD00209559 (95%), Q-7126, 1H-Pyrrole-1-carboxylic acid; tert-Butyl ester, A828761, I11-0425, InChI=1/C9H13NO2/c1-9(2,3)12-8(11)10-6-4-5-7-10/h4-7H,1-3H, 1-Boc-Pyrrolidine, C9H13NO2, CID643494, ZINC00396082, ACN-051393, N-Boc-pyrrole, 99% - 100ML 100ml, C3253, 86953-79-9,

Complexity	166
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	167.095g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	167.208g/mol
Monoisotopic Mass	167.095g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	31.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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