AG00C9SA

400777-00-6 | CARBAMIC ACID, (6-CHLORO-4-IODO-3-PYRIDINYL)-, 1,1-DIMETHYLETHYL ESTER

AG00C9SA

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CAS Number	400777-00-6
Catalog Number	AG00C9SA(AGN-PC-09RWLH)
Chemical Name	CARBAMIC ACID, (6-CHLORO-4-IODO-3-PYRIDINYL)-, 1,1-DIMETHYLETHYL ESTER
IUPAC Name	tert-butyl N-(6-chloro-4-iodopyridin-3-yl)carbamate
InChI	InChI=1S/C10H12ClIN2O2/c1-10(2,3)16-9(15)14-7-5-13-8(11)4-6(7)12/h4-5H,1-3H3,(H,14,15)
InChI Key	YCBOUHLCYYKTFG-UHFFFAOYSA-N
MDL Number	MFCD11977418
Molecular Formula	C10H12ClIN2O2
Molecular Weight	354.5719
SMILES	CC(C)(C)OC(=O)NC1=C(I)C=C(Cl)N=C1
Synonyms	400777-00-6, tert-Butyl (6-chloro-4-iodopyridin-3-yl)carbamate, TERT-BUTYL 6-CHLORO-4-IODOPYRIDIN-3-YLCARBAMATE, (6-chloro-4-iodo-pyridin-3-yl)-carbamic acid tert-butyl ester, AK103176, Carbamic acid, (6-chloro-4-iodo-3-pyridinyl)-, 1,1-dimethylethyl ester, tert-butyl(6-chloro-4-iodopyridin-3-yl)carbamate, SCHEMBL1581324, CTK4I2427, KS-00000QBW, DTXSID40697039, YCBOUHLCYYKTFG-UHFFFAOYSA-N, BCP27803, ANW-65040, MFCD11977418, ZINC71617383, AKOS016005339, CS-W007089, DS-4034, FCH1629050, ACM400777006, SC-70754, AJ-118286, AX8234715, TC-153785, FT-0698384, ST24049560, Y6214, C-0197, Z-8190, A824908, 1,1-dimethylethyl (6-chloro-4-iodo-3-pyridinyl)carbamate, tert-butyl N-(6-chloranyl-4-iodanyl-pyridin-3-yl)carbamate, (6-Chloro-4-iodopyridin-3-yl)carbamic acid tert-butyl ester, N-(6-chloro-4-iodo-3-pyridinyl)carbamic acid tert-butyl ester, TERT-BUTYL N-(6-CHLORO-4-IODOPYRIDIN-3-YL)CARBAMATE, (6-Chloro-4-iodo-3-pyridinyl)-carbamic acid 1,1-dimethylethyl ester, Carbamicacid, N-(6-chloro-4-iodo-3-pyridinyl)-, 1,1-dimethylethyl ester, C10H12ClIN2O2, ACN-027419,

Complexity	258
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	353.963g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	354.572g/mol
Monoisotopic Mass	353.963g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	51.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

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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