AG00AC69

154593-58-5 | L-2-(5-Bromothienyl)alanine

AG00AC69

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CAS Number	154593-58-5
Catalog Number	AG00AC69(AGN-PC-0Q6QWU)
Chemical Name	L-2-(5-Bromothienyl)alanine
IUPAC Name	(2S)-2-amino-3-(5-bromothiophen-2-yl)propanoic acid
InChI	InChI=1S/C7H8BrNO2S/c8-6-2-1-4(12-6)3-5(9)7(10)11/h1-2,5H,3,9H2,(H,10,11)/t5-/m0/s1
InChI Key	LKORPMMOJAJYLC-YFKPBYRVSA-N
MDL Number	MFCD04117834
Molecular Formula	C7H8BrNO2S
Molecular Weight	250.1129
SMILES	O=C(O)[C@@H](N)CC1=CC=C(Br)S1
Synonyms	154593-58-5, L-2-(5-Bromothienyl)alanine, (S)-2-Amino-3-(5-bromothiophen-2-yl)propanoic acid, 3-(5-Bromothiophen-2-Yl)-L-Alanine, 3-(5-bromothien-2-yl)-l-alanine, (2S)-2-amino-3-(5-bromothiophen-2-yl)propanoic acid, HcNDPAWPqDBDfUvxjijjYcl@, AC1MC5T5, SCHEMBL4242294, 3-(5-Bromo-2-thienyl)alanine, CTK8E9399, DTXSID50375932, ZINC2529149, MFCD04117834, AKOS012010212, AL510-1, DS-3895, AJ-38388, RT-013473, ST24035976, K-4882, (2S)-2-amino-3-(5-bromo-2-thienyl)propanoic acid, (2S)-2-amino-3-(5-bromo-2-thienyl)propionic acid, J-501736, (2S)-2-amino-3-(5-bromo-2-thiophenyl)propanoic acid, (AlphaR)-alpha-amino-5-bromo-2-thiophenepropanoic acid, (2S)-2-azanyl-3-(5-bromanylthiophen-2-yl)propanoic acid, 33W, L-3-(2-(5-Br-Thienyl))-alanine, ACN-026120, CID2761814, (S)-2-Amino-3-(5-bromothiophen-2-yl)propanoicacid, (R)-2-Amino-3-(5-bromothiophen-2-yl)propanoic acid, 2-Thiophenepropanoic acid, alpha-amino-5-bromo-, (alphaS)-, 264903-54-0,

Complexity	179
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	248.946g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	250.11g/mol
Monoisotopic Mass	248.946g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	91.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.7

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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