AG006ZTL

221538-07-4 | tert-Butyl (5-bromo-2-methylphenyl)carbamate

AG006ZTL

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CAS Number	221538-07-4
Catalog Number	AG006ZTL(AGN-PC-0WAF35)
Chemical Name	tert-Butyl (5-bromo-2-methylphenyl)carbamate
IUPAC Name	tert-butyl N-(5-bromo-2-methylphenyl)carbamate
InChI	InChI=1S/C12H16BrNO2/c1-8-5-6-9(13)7-10(8)14-11(15)16-12(2,3)4/h5-7H,1-4H3,(H,14,15)
InChI Key	BNVTXJGOUMSADR-UHFFFAOYSA-N
MDL Number	MFCD11504830
Molecular Formula	C12H16BrNO2
Molecular Weight	286.1649
SMILES	c1c(cc(c(c1)C)NC(=O)OC(C)(C)C)Br
Synonyms	221538-07-4, T-BUTYL 5-BROMO-2-METHYLPHENYLCARBAMATE, tert-Butyl (5-bromo-2-methylphenyl)carbamate, TERT-BUTYL 5-BROMO-2-METHYLPHENYLCARBAMATE, tert-butyl N-(5-bromo-2-methylphenyl)carbamate, 2-BOC-AMINO-4-BROMOTOLUENE, ACMC-209fsw, SCHEMBL456674, CTK4E8776, DTXSID50444834, BNVTXJGOUMSADR-UHFFFAOYSA-N, ANW-24750, MFCD11504830, ZINC34461274, AKOS014476073, N-Boc-5-bromo-2-methylaniline, 97%, RTR-010432, AJ-88712, SC-33333, TR-010432, V4456, B-7968, I14-24745, Z2009833164, (5-Bromo-2-methyl-phenyl)-carbamic acid tert-butyl ester, C12H16BrNO2, CID10779535, Tert-butyl N-(5-bromo-2-methyl-phenyl)carbamate,

Complexity	250
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	285.036g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	286.169g/mol
Monoisotopic Mass	285.036g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	38.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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