(3-bromo-5-nitrophenyl)methanol

(3-bromo-5-nitrophenyl)methanol

CAS: 139194-79-9

Formula: C7H6BrNO3

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

IUPAC: (3-bromo-5-nitrophenyl)methanol

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