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1261836-75-2 | Benzeneacetic acid, 2-amino-3-bromo-
CAS No: 1261836-75-2 Catalog No: AG000S1T MDL No:MFCD18389419
Product Description
Catalog Number:
AG000S1T
Chemical Name:
Benzeneacetic acid, 2-amino-3-bromo-
CAS Number:
1261836-75-2
Molecular Formula:
C8H8BrNO2
Molecular Weight:
230.0586
MDL Number:
MFCD18389419
IUPAC Name:
2-(2-amino-3-bromophenyl)acetic acid
InChI:
InChI=1S/C8H8BrNO2/c9-6-3-1-2-5(8(6)10)4-7(11)12/h1-3H,4,10H2,(H,11,12)
InChI Key:
USCUTEUVARIOAD-UHFFFAOYSA-N
SMILES:
Nc1c(CC(=O)O)cccc1Br
Properties
Complexity:
174
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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