Home Halogens 2-(5-bromo-2,3-dihydro-1H-indol-3-yl)acetic acid

2-(5-bromo-2,3-dihydro-1H-indol-3-yl)acetic acid

CAS No.:
1368446-84-7
Catalog Number:
AG01B6K3
Molecular Formula:
C10H10BrNO2
Molecular Weight:
256.0959
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Product Description
Catalog Number:
AG01B6K3
Chemical Name:
2-(5-bromo-2,3-dihydro-1H-indol-3-yl)acetic acid
CAS Number:
1368446-84-7
Molecular Formula:
C10H10BrNO2
Molecular Weight:
256.0959
MDL Number:
MFCD21876436
IUPAC Name:
2-(5-bromo-2,3-dihydro-1H-indol-3-yl)acetic acid
InChI:
InChI=1S/C10H10BrNO2/c11-7-1-2-9-8(4-7)6(5-12-9)3-10(13)14/h1-2,4,6,12H,3,5H2,(H,13,14)
InChI Key:
IODLAUCNPLLLMX-UHFFFAOYSA-N
SMILES:
OC(=O)CC1CNc2c1cc(Br)cc2
Properties
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.989g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
256.099g/mol
Monoisotopic Mass:
254.989g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties