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Home > Bromides > 177480-81-8

177480-81-8

177480-81-8 | Benzoic acid, 4-bromo-2-chloro-5-fluoro-

CAS No: 177480-81-8 Catalog No: AG0025CP MDL No:MFCD00236589

Product Description

Catalog Number:
AG0025CP
Chemical Name:
Benzoic acid, 4-bromo-2-chloro-5-fluoro-
CAS Number:
177480-81-8
Molecular Formula:
C7H3BrClFO2
Molecular Weight:
253.4529
MDL Number:
MFCD00236589
IUPAC Name:
4-bromo-2-chloro-5-fluorobenzoic acid
InChI:
InChI=1S/C7H3BrClFO2/c8-4-2-5(9)3(7(11)12)1-6(4)10/h1-2H,(H,11,12)
InChI Key:
TZFKKLGCVKORLS-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(F)c(cc1Cl)Br

Properties

Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.899g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
253.451g/mol
Monoisotopic Mass:
251.899g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  

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