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82225-32-9 | 4-Bromo-N-(prop-2-yn-1-yl)benzamide
CAS No: 82225-32-9 Catalog No: AG005H60 MDL No:MFCD09800901
Product Description
Catalog Number:
AG005H60
Chemical Name:
4-Bromo-N-(prop-2-yn-1-yl)benzamide
CAS Number:
82225-32-9
Molecular Formula:
C10H8BrNO
Molecular Weight:
238.0806
MDL Number:
MFCD09800901
IUPAC Name:
4-bromo-N-prop-2-ynylbenzamide
InChI:
InChI=1S/C10H8BrNO/c1-2-7-12-10(13)8-3-5-9(11)6-4-8/h1,3-6H,7H2,(H,12,13)
InChI Key:
PIBNSCVOQQZLNJ-UHFFFAOYSA-N
SMILES:
C#CCNC(=O)c1ccc(cc1)Br
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.979g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.084g/mol
Monoisotopic Mass:
236.979g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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