Home Other Building Blocks 1-(3-AMINO-PHENYL)-2-BROMO-ETHANONE

1-(3-AMINO-PHENYL)-2-BROMO-ETHANONE

CAS No.:
57946-55-1
Catalog Number:
AG00E9YO
Molecular Formula:
C8H8BrNO
Molecular Weight:
214.0592
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Product Description
Catalog Number:
AG00E9YO
Chemical Name:
1-(3-AMINO-PHENYL)-2-BROMO-ETHANONE
CAS Number:
57946-55-1
Molecular Formula:
C8H8BrNO
Molecular Weight:
214.0592
IUPAC Name:
1-(3-aminophenyl)-2-bromoethanone
InChI:
InChI=1S/C8H8BrNO/c9-5-8(11)6-2-1-3-7(10)4-6/h1-4H,5,10H2
InChI Key:
GCXPRJDKXBACNF-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1cccc(c1)N
Properties
Complexity:
149  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.979g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
214.062g/mol
Monoisotopic Mass:
212.979g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties