Home Halogens 3-{[(4-bromophenyl)carbamoyl]amino}propanoic acid

3-{[(4-bromophenyl)carbamoyl]amino}propanoic acid

CAS No.:
3744-18-1
Catalog Number:
AG019UY9
Molecular Formula:
C10H11BrN2O3
Molecular Weight:
287.1099
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Product Description
Catalog Number:
AG019UY9
Chemical Name:
3-{[(4-bromophenyl)carbamoyl]amino}propanoic acid
CAS Number:
3744-18-1
Molecular Formula:
C10H11BrN2O3
Molecular Weight:
287.1099
MDL Number:
MFCD09812793
IUPAC Name:
3-[(4-bromophenyl)carbamoylamino]propanoic acid
InChI:
InChI=1S/C10H11BrN2O3/c11-7-1-3-8(4-2-7)13-10(16)12-6-5-9(14)15/h1-4H,5-6H2,(H,14,15)(H2,12,13,16)
InChI Key:
ZJOQWDOXHUQCGU-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)Br)NCCC(=O)O
Properties
Complexity:
252  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.995g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
287.113g/mol
Monoisotopic Mass:
285.995g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties