AG01BHYN

849178-85-4 | tert-butyl N-[(1R)-1-(4-bromophenyl)-2-hydroxyethyl]carbamate

AG01BHYN

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CAS Number	849178-85-4
Catalog Number	AG01BHYN(AGN-PC-0UVF0E)
Chemical Name	tert-butyl N-[(1R)-1-(4-bromophenyl)-2-hydroxyethyl]carbamate
IUPAC Name	tert-butyl N-[(1R)-1-(4-bromophenyl)-2-hydroxyethyl]carbamate
InChI	InChI=1S/C13H18BrNO3/c1-13(2,3)18-12(17)15-11(8-16)9-4-6-10(14)7-5-9/h4-7,11,16H,8H2,1-3H3,(H,15,17)/t11-/m0/s1
InChI Key	QFKIGDYLKNXDFN-NSHDSACASA-N
MDL Number	MFCD28148212
Molecular Formula	C13H18BrNO3
Molecular Weight	316.1909
SMILES	BrC1=CC=C(C=C1)[C@H](CO)NC(=O)OC(C)(C)C
Synonyms	849178-85-4, (R)-tert-Butyl (1-(4-bromophenyl)-2-hydroxyethyl)carbamate, tert-butyl (R)-(1-(4-bromophenyl)-2-hydroxyethyl)carbamate, tert-butyl N-[(1R)-1-(4-bromophenyl)-2-hydroxyethyl]carbamate, SCHEMBL1554097, QFKIGDYLKNXDFN-NSHDSACASA-N, KS-00000U7N, ZINC95532443, AKOS030524230, DS-20032, [(R)-1-(4-bromo-phenyl)-2-hydroxy-ethyl]-carbamic acid t-butyl ester, [(R)-1-(4-Bromo-phenyl)-2-hydroxy-ethyl]-carbamic acid tert-butyl ester, n-boc-(r)-1-(4-bromophenyl)-2-hydroxyethylamine,

Complexity	270
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	315.047g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	316.195g/mol
Monoisotopic Mass	315.047g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	58.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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