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3-(bromomethyl)-1,2-benzoxazole

3-(bromomethyl)-1,2-benzoxazole

CAS: 37924-85-9

Formula: C8H6BrNO

SMILES: BrCC1=NOC2=CC=CC=C12

IUPAC: 3-(bromomethyl)-1,2-benzoxazole

InChI: InChI=1S/C8H6BrNO/c9-5-7-6-3-1-2-4-8(6)11-10-7/h1-4H,5H2

Composition: C (45.31%), H (2.85%), Br (37.68%), N (6.61%), O (7.55%)

Molar Mass: 212.046

Atom Count: 17

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 210.963277
Formal Charge 0
FSP3 0.12
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey MAIKTETULSZRED-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.16
Topological Polar Surface Area 26.03
Polarizability 18.34
Ring Count 2
Rotatable Bond Count 1

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99.66% <7 Days 37924-85-9 $22.44-$224.40$22.44$56.10$224.40
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Life Chemicals USA, Inc.
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95% <7 Days 37924-85-9 $217.80-$2,709.63$217.80$341.55$588.06$1,284.03$1,934.46$2,709.63
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97% <7 Days 37924-85-9 $31.05-$1,273.05$31.05$72.45$267.03$1,273.05
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95% <5 Days 37924-85-9 $123.58-$518.27$123.58$172.76$518.27
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97% <2 Days 37924-85-9 $150.65-$2,297.70$150.65$187.45$258.75$401.35$687.70$2,297.70
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