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(5-bromo-2-nitrophenyl)methanol

(5-bromo-2-nitrophenyl)methanol

CAS: 1241894-37-0

Formula: C7H6BrNO3

SMILES: OCC1=CC(Br)=CC=C1[N+]([O-])=O

IUPAC: (5-bromo-2-nitrophenyl)methanol

InChI: InChI=1S/C7H6BrNO3/c8-6-1-2-7(9(11)12)5(3-6)4-10/h1-3,10H,4H2

Composition: C (36.23%), H (2.61%), Br (34.44%), N (6.04%), O (20.69%)

Molar Mass: 232.033

Atom Count: 18

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 230.953106
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey UGQKJJIHTCXFJT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.82
Topological Polar Surface Area 63.37
Polarizability 17.7
Ring Count 1
Rotatable Bond Count 2

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