Home Halogens Benzeneacetic acid, a-amino-3-bromo-a-methyl-

Benzeneacetic acid, a-amino-3-bromo-a-methyl-

CAS No.:
7399-36-2
Catalog Number:
AG005UW5
Molecular Formula:
C9H10BrNO2
Molecular Weight:
244.0852
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Product Description
Catalog Number:
AG005UW5
Chemical Name:
Benzeneacetic acid, a-amino-3-bromo-a-methyl-
CAS Number:
7399-36-2
Molecular Formula:
C9H10BrNO2
Molecular Weight:
244.0852
MDL Number:
MFCD02662605
IUPAC Name:
2-amino-2-(3-bromophenyl)propanoic acid
InChI:
InChI=1S/C9H10BrNO2/c1-9(11,8(12)13)6-3-2-4-7(10)5-6/h2-5H,11H2,1H3,(H,12,13)
InChI Key:
VLAAMUVAJIERNC-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)C(C(=O)O)(N)C
NSC Number:
54406
Properties
Complexity:
210  
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:
2  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8  
Properties