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114729-00-9

114729-00-9 | Benzoic acid, 4-[(2,3-dibromo-1-oxopropyl)amino]-

CAS No: 114729-00-9 Catalog No: AG000F48 MDL No:

Product Description

Catalog Number:
AG000F48
Chemical Name:
Benzoic acid, 4-[(2,3-dibromo-1-oxopropyl)amino]-
CAS Number:
114729-00-9
Molecular Formula:
C10H9Br2NO3
Molecular Weight:
350.9914
IUPAC Name:
4-(2,3-dibromopropanoylamino)benzoic acid
InChI:
InChI=1S/C10H9Br2NO3/c11-5-8(12)9(14)13-7-3-1-6(2-4-7)10(15)16/h1-4,8H,5H2,(H,13,14)(H,15,16)
InChI Key:
BBGSZDYVSIMBRO-UHFFFAOYSA-N
SMILES:
BrCC(C(=O)Nc1ccc(cc1)C(=O)O)Br

Properties

Complexity:
265  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.893g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
350.994g/mol
Monoisotopic Mass:
348.895g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

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