Phenyl 4-bromobenzoate

HCID 530840
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Basic information

CAS
5798-76-5
Standard SMILES
O=C(Oc1ccccc1)c1ccc(Br)cc1
InChIKey
GKOPHSXEQSIHQE-UHFFFAOYSA-N
Molecular formula
C13H9BrO2
Average molar mass
277.11 g/mol
Monoisotopic mass
275.97859

Names & identifiers

Preferred name
Phenyl 4-bromobenzoate
IUPAC
phenyl 4-bromobenzoate
English name
Benzoic acid, 4-broMo-, phenyl ester
Molecular formula
C13H9BrO2
Molecular weight
277.11

Names & synonyms

phenyl 4-bromobenzoate5798-76-5Phenyl p-bromobenzoateBenzoic acid, 4-bromo-, phenyl ester4-Bromo-benzoic acid phenyl esterBenzoic acid, p-bromo-, phenyl esterUNII-76ROC0290F4-Bromobenzoic acid phenyl ester [MI]76ROC0290F4-Bromobenzoic acid, phenyl esterF3098-8377SCHEMBL105134
Show more names
SCHEMBL5685600DTXSID40206706SMSSF-0053352AKOS000672892ST50201988Q27266506

Database identifiers

CAS
5798-76-5
PubChem CID
530840
DTXSID
DTXSID40206706
UNII
76ROC0290F
Nikkaji
J1.821.674D

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
16

Experimental & physicochemical properties

Kovats Retention Index1901

Physicochemical properties

FDA UNII
76 ROC0290F · 76ROC0290F

Chemistry & industry

Upstream & downstream products

Downstream products

Suppliers1 total

Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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