AG003CNT

477312-85-9 | (S)-tert-Butyl 1-(3-bromophenyl)ethyl]carbamate

AG003CNT

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CAS Number	477312-85-9
Catalog Number	AG003CNT(AGN-PC-0OANFW)
Chemical Name	(S)-tert-Butyl 1-(3-bromophenyl)ethyl]carbamate
IUPAC Name	tert-butyl N-[(1S)-1-(3-bromophenyl)ethyl]carbamate
InChI	InChI=1S/C13H18BrNO2/c1-9(10-6-5-7-11(14)8-10)15-12(16)17-13(2,3)4/h5-9H,1-4H3,(H,15,16)/t9-/m0/s1
InChI Key	WWNQMGYJYMXOEU-VIFPVBQESA-N
MDL Number	MFCD09038008
Molecular Formula	C13H18BrNO2
Molecular Weight	300.1915
SMILES	O=C(OC(C)(C)C)N[C@H](C1=CC=CC(Br)=C1)C
Synonyms	477312-85-9, (S)-tert-butyl 1-(3-bromophenyl)ethylcarbamate, TERT-BUTYL [(1S)-1-(3-BROMOPHENYL)ETHYL]CARBAMATE, (S)-tert-Butyl (1-(3-bromophenyl)ethyl)carbamate, (S)-[1-(3-BROMO-PHENYL)-ETHYL]-CARBAMIC ACID TERT-BUTYL ESTER, Carbamic acid, [(1S)-1-(3-bromophenyl)ethyl]-, 1,1-dimethylethyl ester, tert-butyl N-[(1S)-1-(3-bromophenyl)ethyl]carbamate, SCHEMBL5849869, WWNQMGYJYMXOEU-VIFPVBQESA-N, KS-00000DB0, 9237AH, MFCD09038008, ZINC77028457, AKOS017553258, CS-W003583, AC-29424, AS-30217, QC-10123, AB0070494, AJ-122436, Z-3695, (S)-tert-Butyl 1-(3-bromophenyl)ethyl]carbamate, tert-butyl[(1S)-1-(3-bromophenyl)ethyl]carbamate, (S)-tert-Butyl (1-(3-bromo-phenyl)ethyl)-carbamate, (S)-[1-(3-bromophenyl)ethyl]carbamic acid tert-butyl ester, (S )[1-(3-bromo-phenyl)-ethyl]-carbamic acid tert-butyl ester, (S)-[1-(3-bromo-phenyl)ethyl]carbamic acid tert-butyl ester, (S)-1-(3-Bromo-phenyl)-ethyl-carbamic acid tert-butyl ester, [(S)-1-(3-bromophenyl)ethyl]carbamic Acid Tert-Butyl Ester, 2-Methyl-2-propanyl [(1S)-1-(3-bromophenyl)ethyl]carbamate, [(S)-1-(3-Bromo-phenyl)-ethyl]-carbamic acid tert-butyl ester, C13H18BrNO2, (S)-N-Boc-1-(3-bromophenyl)ethylamine, TERT-BUTYL[ -1- ETHYL]CARBAMATE, 55601-21-3,

Complexity	263
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	299.052g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	300.196g/mol
Monoisotopic Mass	299.052g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	38.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

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