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885270-74-6 | 8-Bromo-2H-chromene-3-carboxylic acid
CAS No: 885270-74-6 Catalog No: AG0046YD MDL No:MFCD08234726
Product Description
Catalog Number:
AG0046YD
Chemical Name:
8-Bromo-2H-chromene-3-carboxylic acid
CAS Number:
885270-74-6
Molecular Formula:
C10H7BrO3
Molecular Weight:
255.0648
MDL Number:
MFCD08234726
IUPAC Name:
8-bromo-2H-chromene-3-carboxylic acid
InChI:
InChI=1S/C10H7BrO3/c11-8-3-1-2-6-4-7(10(12)13)5-14-9(6)8/h1-4H,5H2,(H,12,13)
InChI Key:
REMJHKGWSWFEBJ-UHFFFAOYSA-N
SMILES:
OC(=O)C1=Cc2c(OC1)c(Br)ccc2
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.958g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.067g/mol
Monoisotopic Mass:
253.958g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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