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1261671-72-0 | Benzeneacetic acid, 2-amino-6-bromo-
CAS No: 1261671-72-0 Catalog No: AG000RXH MDL No:
Product Description
Catalog Number:
AG000RXH
Chemical Name:
Benzeneacetic acid, 2-amino-6-bromo-
CAS Number:
1261671-72-0
Molecular Formula:
C8H8BrNO2
Molecular Weight:
230.0586
IUPAC Name:
2-(2-amino-6-bromophenyl)acetic acid
InChI:
InChI=1S/C8H8BrNO2/c9-6-2-1-3-7(10)5(6)4-8(11)12/h1-3H,4,10H2,(H,11,12)
InChI Key:
VPNLHNHETPWGOV-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1c(N)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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