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116530-55-3 | Benzenepropanoic acid, 3-amino-4-bromo-
CAS No: 116530-55-3 Catalog No: AG000CP8 MDL No:MFCD11109861
Product Description
Catalog Number:
AG000CP8
Chemical Name:
Benzenepropanoic acid, 3-amino-4-bromo-
CAS Number:
116530-55-3
Molecular Formula:
C9H10BrNO2
Molecular Weight:
244.0852
MDL Number:
MFCD11109861
IUPAC Name:
3-(3-amino-4-bromophenyl)propanoic acid
InChI:
InChI=1S/C9H10BrNO2/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1,3,5H,2,4,11H2,(H,12,13)
InChI Key:
JOZXCVUOUYMMEU-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1ccc(c(c1)N)Br
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.989g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.088g/mol
Monoisotopic Mass:
242.989g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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