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1136881-78-1

1136881-78-1 | Benzeneacetic acid, α-amino-4-bromo-2-fluoro-, hydrochloride (1:1)

CAS No: 1136881-78-1 Catalog No: AG0009BD MDL No:MFCD07371461

Product Description

Catalog Number:
AG0009BD
Chemical Name:
Benzeneacetic acid, α-amino-4-bromo-2-fluoro-, hydrochloride (1:1)
CAS Number:
1136881-78-1
Molecular Formula:
C8H8BrClFNO2
Molecular Weight:
284.5100
MDL Number:
MFCD07371461
IUPAC Name:
2-amino-2-(4-bromo-2-fluorophenyl)acetic acid;hydrochloride
InChI:
InChI=1S/C8H7BrFNO2.ClH/c9-4-1-2-5(6(10)3-4)7(11)8(12)13;/h1-3,7H,11H2,(H,12,13);1H
InChI Key:
DMJFFXNNAZTUMY-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1ccc(cc1F)Br)N.Cl

Properties

Complexity:
203  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.941g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
284.509g/mol
Monoisotopic Mass:
282.941g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0

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