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1176625-60-7 | N-(3-Bromo-benzyl)-2-chloro-N-cyclopropyl-acetamide
CAS No: 1176625-60-7 Catalog No: AG01F8OB MDL No:
Product Description
Catalog Number:
AG01F8OB
Chemical Name:
N-(3-Bromo-benzyl)-2-chloro-N-cyclopropyl-acetamide
CAS Number:
1176625-60-7
Molecular Formula:
C12H13BrClNO
Molecular Weight:
302.5947
IUPAC Name:
N-[(3-bromophenyl)methyl]-2-chloro-N-cyclopropylacetamide
InChI:
InChI=1S/C12H13BrClNO/c13-10-3-1-2-9(6-10)8-15(11-4-5-11)12(16)7-14/h1-3,6,11H,4-5,7-8H2
InChI Key:
HXGRVSRFKPNUKT-UHFFFAOYSA-N
SMILES:
ClCC(=O)N(C1CC1)Cc1cccc(c1)Br
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.987g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.596g/mol
Monoisotopic Mass:
300.987g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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