AG00AP60

152606-17-2 | 3-AMINO-3-(2,4-DICHLORO-PHENYL)-PROPIONIC ACID

AG00AP60

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CAS Number	152606-17-2
Catalog Number	AG00AP60(AGN-PC-0Q6CIZ)
Chemical Name	3-AMINO-3-(2,4-DICHLORO-PHENYL)-PROPIONIC ACID
IUPAC Name	3-amino-3-(2,4-dichlorophenyl)propanoic acid
InChI	InChI=1S/C9H9Cl2NO2/c10-5-1-2-6(7(11)3-5)8(12)4-9(13)14/h1-3,8H,4,12H2,(H,13,14)
InChI Key	QGHQDRDWQIHGKZ-UHFFFAOYSA-N
MDL Number	MFCD02663185
Molecular Formula	C9H9Cl2NO2
Molecular Weight	234.0793
SMILES	O=C(O)CC(N)C1=CC=C(Cl)C=C1Cl
Synonyms	3-amino-3-(2,4-dichlorophenyl)propanoic acid, 152606-17-2, 3-Amino-3-(2,4-dichlorophenyl)propionic acid, 3-Amino-3-(2,4-dichloro-phenyl)-propionic acid, Benzenepropanoic acid, b-amino-2,4-dichloro-, 3-Amino-3-(2,4-dichlorophenyl)-propionic acid, AC1LCGY3, Oprea1_786747, ACMC-1C018, SCHEMBL5721003, CTK4C7503, KS-00001WZA, A2744/0116581, DTXSID70344867, QGHQDRDWQIHGKZ-UHFFFAOYSA-N, BBL008171, MFCD02663185, STK022478, 3-(2,4-Dichlorophenyl)-beta-alanine, AKOS000184771, AKOS016043246, AB12021, MCULE-8675087298, 3-(2,4-Dichlorophenyl)-beta-alanine #, SC-59329, SY044842, AB0212737, DB-063951, RT-008550, ST4070412, BB 0249706, CS-0021852, FT-0751798, TL80073918, MFCD02663185 (95%), K-4834, 3-Amino-3-(2,4-dichloro-phenyl)-propionic acid, 4T-0602, SR-01000537416, SR-01000537416-1, CID600035, (S)-3-Amino-3-(2,4-dichlorophenyl)propanoic acid, (R)-3-Amino-3-(2,4-dichlorophenyl)propanoic acid, 757937-66-9, 778571-53-2,

Complexity	213
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	233.001g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	234.076g/mol
Monoisotopic Mass	233.001g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	1
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-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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