AG00D9HF

451-28-5 | 2-(4-FLUOROBENZOYL)AMINOPROPIONIC ACID

AG00D9HF

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CAS Number	451-28-5
Catalog Number	AG00D9HF(AGN-PC-0OAHUM)
Chemical Name	2-(4-FLUOROBENZOYL)AMINOPROPIONIC ACID
IUPAC Name	2-[(4-fluorobenzoyl)amino]propanoic acid
InChI	InChI=1S/C10H10FNO3/c1-6(10(14)15)12-9(13)7-2-4-8(11)5-3-7/h2-6H,1H3,(H,12,13)(H,14,15)
InChI Key	RICKYTLEGMVQTI-UHFFFAOYSA-N
MDL Number	MFCD00706946
Molecular Formula	C10H10FNO3
Molecular Weight	211.1897
SMILES	CC(NC(C1=CC=C(F)C=C1)=O)C(O)=O
Synonyms	2-(4-fluorobenzamido)propanoic acid, 2-(4-Fluorobenzoyl)aminopropionic acid, 451-28-5, 2-(4-Fluoro-benzoylamino)-propionic acid, 2-[(4-fluorophenyl)carbonylamino]propanoic acid, BAS 00570602, AC1MDD48, N-(4-Fluorobenzoyl)alanine, Oprea1_094914, Oprea1_265079, SCHEMBL3995344, CTK6A3364, HMS1679A04, ALBB-019764, MFCD00706946, N-[(4-fluorophenyl)carbonyl]alanine, SBB004604, STL140543, AKOS000124702, AKOS016040276, MCULE-7242183640, 2-[(4-fluorobenzoyl)amino]propanoic acid, AK189655, DS-10010, TR-040147, 2-[(4-fluorophenyl)formamido]propanoic acid, ST50003530, 2-(4-fluorobenzoyl)aminopropionic acid, AldrichCPR, BRD-A51205798-001-02-2, F1130-0019, Alanine, N-(4-fluorobenzoyl)-, CID2787610,

Complexity	249
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	211.064g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	211.192g/mol
Monoisotopic Mass	211.064g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	66.4A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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