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1208077-55-7

1208077-55-7 | 5-Amino-2-bromo-4-chlorobenzoic acid

CAS No: 1208077-55-7 Catalog No: AG01FDFB MDL No:MFCD12547833

Product Description

Catalog Number:
AG01FDFB
Chemical Name:
5-Amino-2-bromo-4-chlorobenzoic acid
CAS Number:
1208077-55-7
Molecular Formula:
C7H5BrClNO2
Molecular Weight:
250.4771
MDL Number:
MFCD12547833
IUPAC Name:
5-amino-2-bromo-4-chlorobenzoic acid
InChI:
InChI=1S/C7H5BrClNO2/c8-4-2-5(9)6(10)1-3(4)7(11)12/h1-2H,10H2,(H,11,12)
InChI Key:
XABXPJNDUNWRFB-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(N)c(cc1Br)Cl

Properties

Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.919g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
250.476g/mol
Monoisotopic Mass:
248.919g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

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