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114838-63-0 | Benzenamine, N-(acetyloxy)-3-bromo-
CAS No: 114838-63-0 Catalog No: AG000FBF MDL No:
Product Description
Catalog Number:
AG000FBF
Chemical Name:
Benzenamine, N-(acetyloxy)-3-bromo-
CAS Number:
114838-63-0
Molecular Formula:
C8H8BrNO2
Molecular Weight:
230.0586
IUPAC Name:
(3-bromoanilino) acetate
InChI:
InChI=1S/C8H8BrNO2/c1-6(11)12-10-8-4-2-3-7(9)5-8/h2-5,10H,1H3
InChI Key:
CELOWHWVIPXNSU-UHFFFAOYSA-N
SMILES:
CC(=O)ONc1cccc(c1)Br
Properties
Complexity:
163
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:
1
Isotope Atom Count:
0
Molecular Weight:
230.061g/mol
Monoisotopic Mass:
228.974g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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