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71079-03-3 | Benzeneacetic acid, α-amino-4-bromo-
CAS No: 71079-03-3 Catalog No: AG000Z8U MDL No:MFCD00049327
Product Description
Catalog Number:
AG000Z8U
Chemical Name:
Benzeneacetic acid, α-amino-4-bromo-
CAS Number:
71079-03-3
Molecular Formula:
C8H8BrNO2
Molecular Weight:
230.0586
MDL Number:
MFCD00049327
IUPAC Name:
2-amino-2-(4-bromophenyl)acetic acid
InChI:
InChI=1S/C8H8BrNO2/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12)
InChI Key:
APLQICUORRMFHY-UHFFFAOYSA-N
SMILES:
NC(c1ccc(cc1)Br)C(=O)O
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.974g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
230.061g/mol
Monoisotopic Mass:
228.974g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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