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885956-50-3 | 1-(4-AMINO-3-BROMOPHENYL)PROPAN-1-ONE
CAS No: 885956-50-3 Catalog No: AG004B01 MDL No:
Product Description
Catalog Number:
AG004B01
Chemical Name:
1-(4-AMINO-3-BROMOPHENYL)PROPAN-1-ONE
CAS Number:
885956-50-3
Molecular Formula:
C9H10BrNO
Molecular Weight:
228.0858
IUPAC Name:
1-(4-amino-3-bromophenyl)propan-1-one
InChI:
InChI=1S/C9H10BrNO/c1-2-9(12)6-3-4-8(11)7(10)5-6/h3-5H,2,11H2,1H3
InChI Key:
SWKMNMPEQTXGII-UHFFFAOYSA-N
SMILES:
CCC(=O)c1ccc(c(c1)Br)N
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.995g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.089g/mol
Monoisotopic Mass:
226.995g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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