Home Halogens 2-{[(3-bromophenyl)methyl]amino}acetic acid

2-{[(3-bromophenyl)methyl]amino}acetic acid

CAS No.:
501653-62-9
Catalog Number:
AG00I8YP
Molecular Formula:
C9H10BrNO2
Molecular Weight:
244.0852
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Product Description
Catalog Number:
AG00I8YP
Chemical Name:
2-{[(3-bromophenyl)methyl]amino}acetic acid
CAS Number:
501653-62-9
Molecular Formula:
C9H10BrNO2
Molecular Weight:
244.0852
MDL Number:
MFCD08443382
IUPAC Name:
2-[(3-bromophenyl)methylamino]acetic acid
InChI:
InChI=1S/C9H10BrNO2/c10-8-3-1-2-7(4-8)5-11-6-9(12)13/h1-4,11H,5-6H2,(H,12,13)
InChI Key:
VQMCEIXNBBYYAF-UHFFFAOYSA-N
SMILES:
OC(=O)CNCc1cccc(c1)Br
NSC Number:
208924
Properties
Complexity:
175  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.989g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
244.088g/mol
Monoisotopic Mass:
242.989g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  
Properties