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223557-19-5 | 4-Bromo-N-propylbenzamide
CAS No: 223557-19-5 Catalog No: AG003TBN MDL No:MFCD01212029
Product Description
Catalog Number:
AG003TBN
Chemical Name:
4-Bromo-N-propylbenzamide
CAS Number:
223557-19-5
Molecular Formula:
C10H12BrNO
Molecular Weight:
242.1124
MDL Number:
MFCD01212029
IUPAC Name:
4-bromo-N-propylbenzamide
InChI:
InChI=1S/C10H12BrNO/c1-2-7-12-10(13)8-3-5-9(11)6-4-8/h3-6H,2,7H2,1H3,(H,12,13)
InChI Key:
HFHYZJDMVOCWSV-UHFFFAOYSA-N
SMILES:
CCCNC(=O)c1ccc(cc1)Br
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.01g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.116g/mol
Monoisotopic Mass:
241.01g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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