AG00BBJ4

169303-80-4 | tert-butyl N-(2-bromo-5-methoxyphenyl)carbamate

AG00BBJ4

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CAS Number	169303-80-4
Catalog Number	AG00BBJ4(AGN-PC-0WAMWZ)
Chemical Name	tert-butyl N-(2-bromo-5-methoxyphenyl)carbamate
IUPAC Name	tert-butyl N-(2-bromo-5-methoxyphenyl)carbamate
InChI	InChI=1S/C12H16BrNO3/c1-12(2,3)17-11(15)14-10-7-8(16-4)5-6-9(10)13/h5-7H,1-4H3,(H,14,15)
InChI Key	HFXDARRAQAAGAX-UHFFFAOYSA-N
MDL Number	MFCD11975638
Molecular Formula	C12H16BrNO3
Molecular Weight	302.1643
SMILES	O=C(OC(C)(C)C)NC1=CC(OC)=CC=C1Br
Synonyms	tert-Butyl (2-bromo-5-methoxyphenyl)carbamate, 169303-80-4, TERT-BUTYL 2-BROMO-5-METHOXYPHENYLCARBAMATE, tert-butyl N-(2-bromo-5-methoxyphenyl)carbamate, SCHEMBL1007579, CTK8C4060, DTXSID50578067, HFXDARRAQAAGAX-UHFFFAOYSA-N, 8667AA, ANW-71007, MFCD11975638, ZINC83869986, AKOS014851497, DS-4303, AK104774, SC-32794, AJ-126073, TC-159752, TERT-BUTYL-2-BROMO-5-METHOXYPHENYLCARBAMATE, C12H16BrNO3, tert-Butyl(2-bromo-5-methoxyphenyl)carbamate,

Complexity	265
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	301.031g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	302.168g/mol
Monoisotopic Mass	301.031g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	47.6A^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
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number