Home Halogens 3-Amino-2-(3-bromobenzyl)propionic acid

3-Amino-2-(3-bromobenzyl)propionic acid

CAS No.:
910443-86-6
Catalog Number:
AG00GSO0
Molecular Formula:
C10H12BrNO2
Molecular Weight:
258.1118
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Product Description
Catalog Number:
AG00GSO0
Chemical Name:
3-Amino-2-(3-bromobenzyl)propionic acid
CAS Number:
910443-86-6
Molecular Formula:
C10H12BrNO2
Molecular Weight:
258.1118
MDL Number:
MFCD07372587
IUPAC Name:
2-(aminomethyl)-3-(3-bromophenyl)propanoic acid
InChI:
InChI=1S/C10H12BrNO2/c11-9-3-1-2-7(5-9)4-8(6-12)10(13)14/h1-3,5,8H,4,6,12H2,(H,13,14)
InChI Key:
XHOJQDSCSICOOX-UHFFFAOYSA-N
SMILES:
NCC(C(=O)O)Cc1cccc(c1)Br
Properties
Complexity:
199  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.005g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
258.115g/mol
Monoisotopic Mass:
257.005g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8  
Properties