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82072-23-9 | 3-(Bromomethyl)benzaldehyde
CAS No: 82072-23-9 Catalog No: AG004X4G MDL No:MFCD06797497
Product Description
Catalog Number:
AG004X4G
Chemical Name:
3-(Bromomethyl)benzaldehyde
CAS Number:
82072-23-9
Molecular Formula:
C8H7BrO
Molecular Weight:
199.0446
MDL Number:
MFCD06797497
IUPAC Name:
3-(bromomethyl)benzaldehyde
InChI:
InChI=1S/C8H7BrO/c9-5-7-2-1-3-8(4-7)6-10/h1-4,6H,5H2
InChI Key:
OEPGAYXSRGROSQ-UHFFFAOYSA-N
SMILES:
BrCc1cccc(c1)C=O
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.968g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.047g/mol
Monoisotopic Mass:
197.968g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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