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6-amino-2-bromo-3-chlorobenzoic acid

6-amino-2-bromo-3-chlorobenzoic acid

CAS: 65971-76-8

Formula: C7H5BrClNO2

SMILES: NC1=C(C(O)=O)C(Br)=C(Cl)C=C1

IUPAC: 6-amino-2-bromo-3-chlorobenzoic acid

InChI: InChI=1S/C7H5BrClNO2/c8-6-3(9)1-2-4(10)5(6)7(11)12/h1-2H,10H2,(H,11,12)

Composition: C (33.57%), H (2.01%), Br (31.90%), Cl (14.15%), N (5.59%), O (12.77%)

Molar Mass: 250.48

Atom Count: 17

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 248.919219
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey PXHYZQUJCFJBRY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.44
Topological Polar Surface Area 63.32
Polarizability 18.78
Ring Count 1
Rotatable Bond Count 1

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